(2S)-N-cyclopentyl-2-(pentylcarbamoylamino)propanamide

C14H27N3O2 — CID 94782979

IUPAC(2S)-N-cyclopentyl-2-(pentylcarbamoylamino)propanamide
SMILESCCCCCNC(=O)N[C@@H](C)C(=O)NC1CCCC1
InChIInChI=1S/C14H27N3O2/c1-3-4-7-10-15-14(19)16-11(2)13(18)17-12-8-5-6-9-12/h11-12H,3-10H2,1-2H3,(H,17,18)(H2,15,16,19)/t11-/m0/s1
InChIKeyRBHSGXBNAARALC-NSHDSACASA-N
MW269.39 g/mol
LogP1.92
Rot. Bonds7

About (2S)-N-cyclopentyl-2-(pentylcarbamoylamino)propanamide

(2S)-N-cyclopentyl-2-(pentylcarbamoylamino)propanamide (PubChem CID 94782979) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-(pentylcarbamoylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-(pentylcarbamoylamino)propanamide
PubChem CID94782979
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name(2S)-N-cyclopentyl-2-(pentylcarbamoylamino)propanamide
SMILESCCCCCNC(=O)N[C@@H](C)C(=O)NC1CCCC1
InChIInChI=1S/C14H27N3O2/c1-3-4-7-10-15-14(19)16-11(2)13(18)17-12-8-5-6-9-12/h11-12H,3-10H2,1-2H3,(H,17,18)(H2,15,16,19)/t11-/m0/s1
InChIKeyRBHSGXBNAARALC-NSHDSACASA-N
XLogP1.92
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexylcarbamoylamino)-N-propylpropanamide
CID 47112302
(2R)-N-cyclohexyl-2-(hexylamino)propanamide
CID 95357979
2-(butylamino)-N-cyclopentylpropanamide
CID 43083458
N-cyclopentyl-2-(cyclopropylcarbamoylamino)propanamide
CID 47076626
(2S)-N-cyclopentyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]propanamide
CID 94796136
1-hexyl-3-[4-(octylcarbamoylamino)cyclohexyl]urea
CID 10200800
1-hexyl-3-propan-2-ylurea
CID 23264656
N'-cyclopentyl-N-pentylpropanediamide
CID 108942192
2-[[(2S)-2-(dodecylcarbamoylamino)propanoyl]amino]acetic acid
CID 25058027
2-[[(1R)-1-cycloheptylethyl]amino]-N-pentylpropanamide
CID 81392391
1-undecyl-3-[(1R)-2-(undecylcarbamoylamino)cyclohexyl]urea
CID 91230133
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-pentylpropanamide
CID 43420338

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-(pentylcarbamoylamino)propanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-(pentylcarbamoylamino)propanamide (CID 94782979) is (2S)-N-cyclopentyl-2-(pentylcarbamoylamino)propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-(pentylcarbamoylamino)propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-(pentylcarbamoylamino)propanamide is CCCCCNC(=O)N[C@@H](C)C(=O)NC1CCCC1.
What is the InChIKey of (2S)-N-cyclopentyl-2-(pentylcarbamoylamino)propanamide?
The InChIKey is RBHSGXBNAARALC-NSHDSACASA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-4-7-10-15-14(19)16-11(2)13(18)17-12-8-5-6-9-12/h11-12H,3-10H2,1-2H3,(H,17,18)(H2,15,16,19)/t11-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-(pentylcarbamoylamino)propanamide?
(2S)-N-cyclopentyl-2-(pentylcarbamoylamino)propanamide has a molecular weight of 269.39 g/mol, XLogP of 1.92, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-(pentylcarbamoylamino)propanamide is sourced from PubChem (CID 94782979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).