N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-morpholin-4-yl-4-oxobutanamide;N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-oxo-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]butanamide

C55H83N7O7 — CID 158083609

IUPACN-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-morpholin-4-yl-4-oxobutanamide;N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-oxo-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]butanamide
SMILESO=C(CCC(=O)N1CCCC1CN1CCCC1)NC1CCC(Cc2ccccc2)(N2CCOCC2)CC1.O=C(CCC(=O)N1CCOCC1)NC1CCC(Cc2ccccc2)(N2CCOCC2)CC1
InChIInChI=1S/C30H46N4O3.C25H37N3O4/c35-28(10-11-29(36)34-18-6-9-27(34)24-32-16-4-5-17-32)31-26-12-14-30(15-13-26,33-19-21-37-22-20-33)23-25-7-2-1-3-8-25;29-23(6-7-24(30)27-12-16-31-17-13-27)26-22-8-10-25(11-9-22,28-14-18-32-19-15-28)20-21-4-2-1-3-5-21/h1-3,7-8,26-27H,4-6,9-24H2,(H,31,35);1-5,22H,6-20H2,(H,26,29)
InChIKeyFNFZXQLGZJHYEK-UHFFFAOYSA-N
MW954.31 g/mol
LogP5.22
Rot. Bonds16

About N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-morpholin-4-yl-4-oxobutanamide;N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-oxo-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]butanamide

N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-morpholin-4-yl-4-oxobutanamide;N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-oxo-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]butanamide (PubChem CID 158083609) has the molecular formula C55H83N7O7 and a molecular weight of 954.31 g/mol. Its IUPAC name is N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-morpholin-4-yl-4-oxobutanamide;N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-oxo-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]butanamide.

Molecular Properties

Compound NameN-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-morpholin-4-yl-4-oxobutanamide;N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-oxo-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]butanamide
PubChem CID158083609
Molecular FormulaC55H83N7O7
Molecular Weight954.31 g/mol
Exact Mass953.64
IUPAC NameN-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-morpholin-4-yl-4-oxobutanamide;N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-oxo-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]butanamide
SMILESO=C(CCC(=O)N1CCCC1CN1CCCC1)NC1CCC(Cc2ccccc2)(N2CCOCC2)CC1.O=C(CCC(=O)N1CCOCC1)NC1CCC(Cc2ccccc2)(N2CCOCC2)CC1
InChIInChI=1S/C30H46N4O3.C25H37N3O4/c35-28(10-11-29(36)34-18-6-9-27(34)24-32-16-4-5-17-32)31-26-12-14-30(15-13-26,33-19-21-37-22-20-33)23-25-7-2-1-3-8-25;29-23(6-7-24(30)27-12-16-31-17-13-27)26-22-8-10-25(11-9-22,28-14-18-32-19-15-28)20-21-4-2-1-3-5-21/h1-3,7-8,26-27H,4-6,9-24H2,(H,31,35);1-5,22H,6-20H2,(H,26,29)
InChIKeyFNFZXQLGZJHYEK-UHFFFAOYSA-N
XLogP5.22
TPSA136.23 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.31
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-morpholin-4-yl-4-oxobutanamide;N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-oxo-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-morpholin-4-yl-4-oxobutanamide;N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-oxo-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]butanamide?
The IUPAC name of N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-morpholin-4-yl-4-oxobutanamide;N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-oxo-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]butanamide (CID 158083609) is N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-morpholin-4-yl-4-oxobutanamide;N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-oxo-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]butanamide.
What is the SMILES notation for N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-morpholin-4-yl-4-oxobutanamide;N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-oxo-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]butanamide?
The canonical SMILES for N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-morpholin-4-yl-4-oxobutanamide;N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-oxo-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]butanamide is O=C(CCC(=O)N1CCCC1CN1CCCC1)NC1CCC(Cc2ccccc2)(N2CCOCC2)CC1.O=C(CCC(=O)N1CCOCC1)NC1CCC(Cc2ccccc2)(N2CCOCC2)CC1.
What is the InChIKey of N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-morpholin-4-yl-4-oxobutanamide;N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-oxo-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]butanamide?
The InChIKey is FNFZXQLGZJHYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46N4O3.C25H37N3O4/c35-28(10-11-29(36)34-18-6-9-27(34)24-32-16-4-5-17-32)31-26-12-14-30(15-13-26,33-19-21-37-22-20-33)23-25-7-2-1-3-8-25;29-23(6-7-24(30)27-12-16-31-17-13-27)26-22-8-10-25(11-9-22,28-14-18-32-19-15-28)20-21-4-2-1-3-5-21/h1-3,7-8,26-27H,4-6,9-24H2,(H,31,35);1-5,22H,6-20H2,(H,26,29).
What are the key properties of N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-morpholin-4-yl-4-oxobutanamide;N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-oxo-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]butanamide?
N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-morpholin-4-yl-4-oxobutanamide;N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-oxo-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]butanamide has a molecular weight of 954.31 g/mol, XLogP of 5.22, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-morpholin-4-yl-4-oxobutanamide;N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-oxo-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]butanamide is sourced from PubChem (CID 158083609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).