2-amino-3-cyclohexyl-N-[3-(methylamino)-3-oxopropyl]propanamide

C13H25N3O2 — CID 114264767

IUPAC2-amino-3-cyclohexyl-N-[3-(methylamino)-3-oxopropyl]propanamide
SMILESCNC(=O)CCNC(=O)C(N)CC1CCCCC1
InChIInChI=1S/C13H25N3O2/c1-15-12(17)7-8-16-13(18)11(14)9-10-5-3-2-4-6-10/h10-11H,2-9,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyXKLPRVUCFJLKGD-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.54
Rot. Bonds6

About 2-amino-3-cyclohexyl-N-[3-(methylamino)-3-oxopropyl]propanamide

2-amino-3-cyclohexyl-N-[3-(methylamino)-3-oxopropyl]propanamide (PubChem CID 114264767) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-amino-3-cyclohexyl-N-[3-(methylamino)-3-oxopropyl]propanamide.

Molecular Properties

Compound Name2-amino-3-cyclohexyl-N-[3-(methylamino)-3-oxopropyl]propanamide
PubChem CID114264767
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-amino-3-cyclohexyl-N-[3-(methylamino)-3-oxopropyl]propanamide
SMILESCNC(=O)CCNC(=O)C(N)CC1CCCCC1
InChIInChI=1S/C13H25N3O2/c1-15-12(17)7-8-16-13(18)11(14)9-10-5-3-2-4-6-10/h10-11H,2-9,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyXKLPRVUCFJLKGD-UHFFFAOYSA-N
XLogP0.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-cyclohexyl-N-hex-5-ynylpropanamide
CID 114264857
2-amino-3-cyclohexyl-N-[(3-hydroxycyclobutyl)methyl]propanamide
CID 114264790
2-amino-3-cyclobutyl-N'-methylpropanehydrazide
CID 116849612
(2R)-2-amino-3-cyclopropyl-N-ethylpropanamide
CID 82668057
3-amino-4-cyclohexylbutan-2-one
CID 20668322
methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate
CID 171080468
(2S)-2-amino-3-cyclopentyl-N-cyclopropylpropanamide;hydrochloride
CID 118704811
(2S)-2-amino-3-cyclohexyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 166276680
3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
CID 14478229
(2S)-2-amino-N-(2-cyclohexylethyl)-3-hydroxypropanamide
CID 70364930
(2S)-1-[(2S)-2-[[(2S)-2-amino-3-cyclohexylpropanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 11186833
(2R)-2-amino-3-cyclohexyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide
CID 143330187

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyclohexyl-N-[3-(methylamino)-3-oxopropyl]propanamide?
The IUPAC name of 2-amino-3-cyclohexyl-N-[3-(methylamino)-3-oxopropyl]propanamide (CID 114264767) is 2-amino-3-cyclohexyl-N-[3-(methylamino)-3-oxopropyl]propanamide.
What is the SMILES notation for 2-amino-3-cyclohexyl-N-[3-(methylamino)-3-oxopropyl]propanamide?
The canonical SMILES for 2-amino-3-cyclohexyl-N-[3-(methylamino)-3-oxopropyl]propanamide is CNC(=O)CCNC(=O)C(N)CC1CCCCC1.
What is the InChIKey of 2-amino-3-cyclohexyl-N-[3-(methylamino)-3-oxopropyl]propanamide?
The InChIKey is XKLPRVUCFJLKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-15-12(17)7-8-16-13(18)11(14)9-10-5-3-2-4-6-10/h10-11H,2-9,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 2-amino-3-cyclohexyl-N-[3-(methylamino)-3-oxopropyl]propanamide?
2-amino-3-cyclohexyl-N-[3-(methylamino)-3-oxopropyl]propanamide has a molecular weight of 255.36 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclohexyl-N-[3-(methylamino)-3-oxopropyl]propanamide is sourced from PubChem (CID 114264767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).