3-[[(1S)-1-cyclohexylethyl]carbamoylamino]-N-prop-2-ynylpropanamide

C15H25N3O2 — CID 97218985

IUPAC3-[[(1S)-1-cyclohexylethyl]carbamoylamino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)CCNC(=O)N[C@@H](C)C1CCCCC1
InChIInChI=1S/C15H25N3O2/c1-3-10-16-14(19)9-11-17-15(20)18-12(2)13-7-5-4-6-8-13/h1,12-13H,4-11H2,2H3,(H,16,19)(H2,17,18,20)/t12-/m0/s1
InChIKeyLFCFAVJBGBYDCQ-LBPRGKRZSA-N
MW279.38 g/mol
LogP1.39
Rot. Bonds6

About 3-[[(1S)-1-cyclohexylethyl]carbamoylamino]-N-prop-2-ynylpropanamide

3-[[(1S)-1-cyclohexylethyl]carbamoylamino]-N-prop-2-ynylpropanamide (PubChem CID 97218985) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[[(1S)-1-cyclohexylethyl]carbamoylamino]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name3-[[(1S)-1-cyclohexylethyl]carbamoylamino]-N-prop-2-ynylpropanamide
PubChem CID97218985
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-[[(1S)-1-cyclohexylethyl]carbamoylamino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)CCNC(=O)N[C@@H](C)C1CCCCC1
InChIInChI=1S/C15H25N3O2/c1-3-10-16-14(19)9-11-17-15(20)18-12(2)13-7-5-4-6-8-13/h1,12-13H,4-11H2,2H3,(H,16,19)(H2,17,18,20)/t12-/m0/s1
InChIKeyLFCFAVJBGBYDCQ-LBPRGKRZSA-N
XLogP1.39
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1-cyclohexylethyl)-3-(3-hydroxybutyl)urea
CID 111507132
2-[[(1S)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide
CID 81395795
2-[[(1R)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide
CID 81388842
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
3-(tert-butylamino)-N-(1-cyclohexylethyl)propanamide
CID 62407749
3-[[(1R)-1-cycloheptylethyl]amino]-N-ethylpropanamide
CID 81392911
2-[[(1S)-1-cyclohexylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
CID 101187737
3-cyclopentyl-N-prop-2-ynylpropanamide
CID 60646217
N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide
CID 102132492
N-cyclopentyl-3-(dicyclopentylmethylcarbamoylamino)propanamide
CID 86969950
(2S)-4-(1-cyclobutylethylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841213
N'-(1-cyclohexyl-3-hydroxypropyl)-N-prop-2-ynylpropanediamide
CID 110017570

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-cyclohexylethyl]carbamoylamino]-N-prop-2-ynylpropanamide?
The IUPAC name of 3-[[(1S)-1-cyclohexylethyl]carbamoylamino]-N-prop-2-ynylpropanamide (CID 97218985) is 3-[[(1S)-1-cyclohexylethyl]carbamoylamino]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 3-[[(1S)-1-cyclohexylethyl]carbamoylamino]-N-prop-2-ynylpropanamide?
The canonical SMILES for 3-[[(1S)-1-cyclohexylethyl]carbamoylamino]-N-prop-2-ynylpropanamide is C#CCNC(=O)CCNC(=O)N[C@@H](C)C1CCCCC1.
What is the InChIKey of 3-[[(1S)-1-cyclohexylethyl]carbamoylamino]-N-prop-2-ynylpropanamide?
The InChIKey is LFCFAVJBGBYDCQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-10-16-14(19)9-11-17-15(20)18-12(2)13-7-5-4-6-8-13/h1,12-13H,4-11H2,2H3,(H,16,19)(H2,17,18,20)/t12-/m0/s1.
What are the key properties of 3-[[(1S)-1-cyclohexylethyl]carbamoylamino]-N-prop-2-ynylpropanamide?
3-[[(1S)-1-cyclohexylethyl]carbamoylamino]-N-prop-2-ynylpropanamide has a molecular weight of 279.38 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-1-cyclohexylethyl]carbamoylamino]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 97218985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).