N-(3-aminobutyl)-2-[(2-cyclohexylacetyl)amino]propanamide

C15H29N3O2 — CID 119499014

IUPACN-(3-aminobutyl)-2-[(2-cyclohexylacetyl)amino]propanamide
SMILESCC(N)CCNC(=O)C(C)NC(=O)CC1CCCCC1
InChIInChI=1S/C15H29N3O2/c1-11(16)8-9-17-15(20)12(2)18-14(19)10-13-6-4-3-5-7-13/h11-13H,3-10,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyWSKWEQCVPZQLKW-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.32
Rot. Bonds7

About N-(3-aminobutyl)-2-[(2-cyclohexylacetyl)amino]propanamide

N-(3-aminobutyl)-2-[(2-cyclohexylacetyl)amino]propanamide (PubChem CID 119499014) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-[(2-cyclohexylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-[(2-cyclohexylacetyl)amino]propanamide
PubChem CID119499014
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-(3-aminobutyl)-2-[(2-cyclohexylacetyl)amino]propanamide
SMILESCC(N)CCNC(=O)C(C)NC(=O)CC1CCCCC1
InChIInChI=1S/C15H29N3O2/c1-11(16)8-9-17-15(20)12(2)18-14(19)10-13-6-4-3-5-7-13/h11-13H,3-10,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyWSKWEQCVPZQLKW-UHFFFAOYSA-N
XLogP1.32
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyclohexylacetyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 51103870
6-[2-[(2-cyclohexylacetyl)amino]propanoylamino]hexanoic acid
CID 119219690
(2S)-2-[(2-cyclohexylacetyl)amino]-N-[(2-hydroxyphenyl)methyl]propanamide
CID 95305329
N-[(2S)-1-aminopropan-2-yl]-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride
CID 120508255
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
(2R)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313821
(2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313801
methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate
CID 54564390
N-(3-aminobutyl)-2-(cyclohexylmethyl)butanamide
CID 119495852
(2S)-2-[2-[(2-cyclohexylacetyl)amino]propanoylamino]-3-methylbutanoic acid
CID 119359472
4-[2-[2-[(2-cyclohexylacetyl)amino]propanoylamino]ethyl]benzoic acid
CID 119168621
(2R)-2-[(2-cyclohexylacetyl)amino]-N-[3-[2-methoxyethyl(methyl)amino]propyl]propanamide
CID 95298106

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-[(2-cyclohexylacetyl)amino]propanamide?
The IUPAC name of N-(3-aminobutyl)-2-[(2-cyclohexylacetyl)amino]propanamide (CID 119499014) is N-(3-aminobutyl)-2-[(2-cyclohexylacetyl)amino]propanamide.
What is the SMILES notation for N-(3-aminobutyl)-2-[(2-cyclohexylacetyl)amino]propanamide?
The canonical SMILES for N-(3-aminobutyl)-2-[(2-cyclohexylacetyl)amino]propanamide is CC(N)CCNC(=O)C(C)NC(=O)CC1CCCCC1.
What is the InChIKey of N-(3-aminobutyl)-2-[(2-cyclohexylacetyl)amino]propanamide?
The InChIKey is WSKWEQCVPZQLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-11(16)8-9-17-15(20)12(2)18-14(19)10-13-6-4-3-5-7-13/h11-13H,3-10,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-(3-aminobutyl)-2-[(2-cyclohexylacetyl)amino]propanamide?
N-(3-aminobutyl)-2-[(2-cyclohexylacetyl)amino]propanamide has a molecular weight of 283.42 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-[(2-cyclohexylacetyl)amino]propanamide is sourced from PubChem (CID 119499014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).