2-amino-N-[4-[benzyl(ethyl)amino]cyclohexyl]acetamide

C17H27N3O — CID 66567128

IUPAC2-amino-N-[4-[benzyl(ethyl)amino]cyclohexyl]acetamide
SMILESCCN(Cc1ccccc1)C1CCC(NC(=O)CN)CC1
InChIInChI=1S/C17H27N3O/c1-2-20(13-14-6-4-3-5-7-14)16-10-8-15(9-11-16)19-17(21)12-18/h3-7,15-16H,2,8-13,18H2,1H3,(H,19,21)
InChIKeyDMSWSUAKELNOBM-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.89
Rot. Bonds6

About 2-amino-N-[4-[benzyl(ethyl)amino]cyclohexyl]acetamide

2-amino-N-[4-[benzyl(ethyl)amino]cyclohexyl]acetamide (PubChem CID 66567128) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-amino-N-[4-[benzyl(ethyl)amino]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[benzyl(ethyl)amino]cyclohexyl]acetamide
PubChem CID66567128
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-amino-N-[4-[benzyl(ethyl)amino]cyclohexyl]acetamide
SMILESCCN(Cc1ccccc1)C1CCC(NC(=O)CN)CC1
InChIInChI=1S/C17H27N3O/c1-2-20(13-14-6-4-3-5-7-14)16-10-8-15(9-11-16)19-17(21)12-18/h3-7,15-16H,2,8-13,18H2,1H3,(H,19,21)
InChIKeyDMSWSUAKELNOBM-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[4-[benzyl(propan-2-yl)amino]cyclohexyl]acetamide
CID 66564020
benzyl N-[4-[(2-aminoacetyl)amino]cyclohexyl]-N-methylcarbamate
CID 66566678
2-[benzyl(cyclohexyl)amino]-N-cyclopropylacetamide
CID 60522706
benzyl N-[4-[ethyl(2-hydroxyethyl)amino]cyclohexyl]carbamate
CID 66564308
N-cyclopropyl-2-phenylacetamide
CID 5175687
(2S)-2-amino-N-[4-[benzyl(cyclopropyl)amino]cyclohexyl]-3-methylbutanamide
CID 66567247
1-(2-aminoethyl)-N-benzyl-N-ethylpiperidin-4-amine
CID 71301853
N-[[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62421837
3-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
CID 55214209
2-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]acetohydrazide
CID 105351719
2-amino-N-[(1S,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide
CID 96554230
2-amino-N-[(1R,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide
CID 124526892

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[benzyl(ethyl)amino]cyclohexyl]acetamide?
The IUPAC name of 2-amino-N-[4-[benzyl(ethyl)amino]cyclohexyl]acetamide (CID 66567128) is 2-amino-N-[4-[benzyl(ethyl)amino]cyclohexyl]acetamide.
What is the SMILES notation for 2-amino-N-[4-[benzyl(ethyl)amino]cyclohexyl]acetamide?
The canonical SMILES for 2-amino-N-[4-[benzyl(ethyl)amino]cyclohexyl]acetamide is CCN(Cc1ccccc1)C1CCC(NC(=O)CN)CC1.
What is the InChIKey of 2-amino-N-[4-[benzyl(ethyl)amino]cyclohexyl]acetamide?
The InChIKey is DMSWSUAKELNOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-20(13-14-6-4-3-5-7-14)16-10-8-15(9-11-16)19-17(21)12-18/h3-7,15-16H,2,8-13,18H2,1H3,(H,19,21).
What are the key properties of 2-amino-N-[4-[benzyl(ethyl)amino]cyclohexyl]acetamide?
2-amino-N-[4-[benzyl(ethyl)amino]cyclohexyl]acetamide has a molecular weight of 289.42 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[benzyl(ethyl)amino]cyclohexyl]acetamide is sourced from PubChem (CID 66567128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).