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

C18H29N3O — CID 66564020

IUPAC2-amino-N-[4-[benzyl(propan-2-yl)amino]cyclohexyl]acetamide
SMILESCC(C)N(Cc1ccccc1)C1CCC(NC(=O)CN)CC1
InChIInChI=1S/C18H29N3O/c1-14(2)21(13-15-6-4-3-5-7-15)17-10-8-16(9-11-17)20-18(22)12-19/h3-7,14,16-17H,8-13,19H2,1-2H3,(H,20,22)
InChIKeyCZYZWFWZEROSQK-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.28
Rot. Bonds6

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

2-amino-N-[4-[benzyl(propan-2-yl)amino]cyclohexyl]acetamide (PubChem CID 66564020) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-amino-N-[4-[benzyl(propan-2-yl)amino]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[benzyl(propan-2-yl)amino]cyclohexyl]acetamide
PubChem CID66564020
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name2-amino-N-[4-[benzyl(propan-2-yl)amino]cyclohexyl]acetamide
SMILESCC(C)N(Cc1ccccc1)C1CCC(NC(=O)CN)CC1
InChIInChI=1S/C18H29N3O/c1-14(2)21(13-15-6-4-3-5-7-15)17-10-8-16(9-11-17)20-18(22)12-19/h3-7,14,16-17H,8-13,19H2,1-2H3,(H,20,22)
InChIKeyCZYZWFWZEROSQK-UHFFFAOYSA-N
XLogP2.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[4-[benzyl(ethyl)amino]cyclohexyl]acetamide
CID 66567128
benzyl N-[4-[(2-aminoacetyl)amino]cyclohexyl]-N-methylcarbamate
CID 66566678
benzyl N-[4-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate
CID 66564369
(2S)-2-amino-N-[4-[benzyl(cyclopropyl)amino]cyclohexyl]-3-methylbutanamide
CID 66567247
2-[benzyl(cyclopropyl)amino]propanoic acid
CID 119134457
2-amino-1-[(3R)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]ethanone
CID 66567137
(2R)-N-cyclopropyl-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-phenylacetamide
CID 8916196
N-cyclopropyl-2-phenylacetamide
CID 5175687
3-N-benzyl-3-N-cyclopropylbutane-1,3-diamine
CID 60914508
2-amino-1-[(3S)-3-[benzyl(propan-2-yl)amino]pyrrolidin-1-yl]propan-1-one
CID 121226156
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(propan-2-yl)amino]cyclohexyl]acetamide?
The IUPAC name of 2-amino-N-[4-[benzyl(propan-2-yl)amino]cyclohexyl]acetamide (CID 66564020) is 2-amino-N-[4-[benzyl(propan-2-yl)amino]cyclohexyl]acetamide.
What is the SMILES notation for 2-amino-N-[4-[benzyl(propan-2-yl)amino]cyclohexyl]acetamide?
The canonical SMILES for 2-amino-N-[4-[benzyl(propan-2-yl)amino]cyclohexyl]acetamide is CC(C)N(Cc1ccccc1)C1CCC(NC(=O)CN)CC1.
What is the InChIKey of 2-amino-N-[4-[benzyl(propan-2-yl)amino]cyclohexyl]acetamide?
The InChIKey is CZYZWFWZEROSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-14(2)21(13-15-6-4-3-5-7-15)17-10-8-16(9-11-17)20-18(22)12-19/h3-7,14,16-17H,8-13,19H2,1-2H3,(H,20,22).
What are the key properties of 2-amino-N-[4-[benzyl(propan-2-yl)amino]cyclohexyl]acetamide?
2-amino-N-[4-[benzyl(propan-2-yl)amino]cyclohexyl]acetamide has a molecular weight of 303.45 g/mol, XLogP of 2.28, 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(propan-2-yl)amino]cyclohexyl]acetamide is sourced from PubChem (CID 66564020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).