N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]cyclohexanecarboxamide

C19H29N3O2 — CID 120886842

IUPACN-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESNCCN(CCc1ccccc1)C(=O)CNC(=O)C1CCCCC1
InChIInChI=1S/C19H29N3O2/c20-12-14-22(13-11-16-7-3-1-4-8-16)18(23)15-21-19(24)17-9-5-2-6-10-17/h1,3-4,7-8,17H,2,5-6,9-15,20H2,(H,21,24)
InChIKeyMBWRTAXPSFANEL-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.71
Rot. Bonds8

About N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 120886842) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID120886842
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESNCCN(CCc1ccccc1)C(=O)CNC(=O)C1CCCCC1
InChIInChI=1S/C19H29N3O2/c20-12-14-22(13-11-16-7-3-1-4-8-16)18(23)15-21-19(24)17-9-5-2-6-10-17/h1,3-4,7-8,17H,2,5-6,9-15,20H2,(H,21,24)
InChIKeyMBWRTAXPSFANEL-UHFFFAOYSA-N
XLogP1.71
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
CID 120886231
N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride
CID 120886157
N-(2-aminoethyl)-2-cyclohexyl-N-(2-phenylethyl)acetamide
CID 120886160
N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide;hydrochloride
CID 120886353
N-(2-aminoethyl)-3-cyclopropyl-N-(2-phenylethyl)propanamide
CID 120886734
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571
N-(2-aminoethyl)-3-cyclopentylsulfonyl-N-(2-phenylethyl)propanamide
CID 120886452
N-(2-aminoethyl)-2-(2-oxopiperidin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120885063
N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 120886692
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)acetamide
CID 120885504
N-(2-aminoethyl)-N-(2-phenylethyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 120884310

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]cyclohexanecarboxamide (CID 120886842) is N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]cyclohexanecarboxamide is NCCN(CCc1ccccc1)C(=O)CNC(=O)C1CCCCC1.
What is the InChIKey of N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is MBWRTAXPSFANEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c20-12-14-22(13-11-16-7-3-1-4-8-16)18(23)15-21-19(24)17-9-5-2-6-10-17/h1,3-4,7-8,17H,2,5-6,9-15,20H2,(H,21,24).
What are the key properties of N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 120886842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).