N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)pentanamide

C27H39N3O4 — CID 5060616

IUPACN-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)pentanamide
SMILESCCCCC(=O)N(CCCN1CCOCC1)CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1
InChIInChI=1S/C27H39N3O4/c1-3-4-11-26(31)29(15-8-14-28-16-18-33-19-17-28)22-27(32)30(20-24-9-6-5-7-10-24)21-25-13-12-23(2)34-25/h5-7,9-10,12-13H,3-4,8,11,14-22H2,1-2H3
InChIKeyVSOKJZWPLDZEBY-UHFFFAOYSA-N
MW469.63 g/mol
LogP3.86
Rot. Bonds13

About N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)pentanamide

N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)pentanamide (PubChem CID 5060616) has the molecular formula C27H39N3O4 and a molecular weight of 469.63 g/mol. Its IUPAC name is N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)pentanamide.

Molecular Properties

Compound NameN-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)pentanamide
PubChem CID5060616
Molecular FormulaC27H39N3O4
Molecular Weight469.63 g/mol
Exact Mass469.29
IUPAC NameN-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)pentanamide
SMILESCCCCC(=O)N(CCCN1CCOCC1)CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1
InChIInChI=1S/C27H39N3O4/c1-3-4-11-26(31)29(15-8-14-28-16-18-33-19-17-28)22-27(32)30(20-24-9-6-5-7-10-24)21-25-13-12-23(2)34-25/h5-7,9-10,12-13H,3-4,8,11,14-22H2,1-2H3
InChIKeyVSOKJZWPLDZEBY-UHFFFAOYSA-N
XLogP3.86
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)pentanamide?
The IUPAC name of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)pentanamide (CID 5060616) is N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)pentanamide.
What is the SMILES notation for N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)pentanamide?
The canonical SMILES for N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)pentanamide is CCCCC(=O)N(CCCN1CCOCC1)CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1.
What is the InChIKey of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)pentanamide?
The InChIKey is VSOKJZWPLDZEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O4/c1-3-4-11-26(31)29(15-8-14-28-16-18-33-19-17-28)22-27(32)30(20-24-9-6-5-7-10-24)21-25-13-12-23(2)34-25/h5-7,9-10,12-13H,3-4,8,11,14-22H2,1-2H3.
What are the key properties of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)pentanamide?
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)pentanamide has a molecular weight of 469.63 g/mol, XLogP of 3.86, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)pentanamide is sourced from PubChem (CID 5060616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).