2-[[(1R)-1-cycloheptylethyl]amino]-N-(methylcarbamoyl)propanamide

C14H27N3O2 — CID 81392646

IUPAC2-[[(1R)-1-cycloheptylethyl]amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N[C@H](C)C1CCCCCC1
InChIInChI=1S/C14H27N3O2/c1-10(12-8-6-4-5-7-9-12)16-11(2)13(18)17-14(19)15-3/h10-12,16H,4-9H2,1-3H3,(H2,15,17,18,19)/t10-,11?/m1/s1
InChIKeyKCIMBAUHPLDLMK-NFJWQWPMSA-N
MW269.39 g/mol
LogP1.78
Rot. Bonds4

About 2-[[(1R)-1-cycloheptylethyl]amino]-N-(methylcarbamoyl)propanamide

2-[[(1R)-1-cycloheptylethyl]amino]-N-(methylcarbamoyl)propanamide (PubChem CID 81392646) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[[(1R)-1-cycloheptylethyl]amino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[[(1R)-1-cycloheptylethyl]amino]-N-(methylcarbamoyl)propanamide
PubChem CID81392646
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[[(1R)-1-cycloheptylethyl]amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N[C@H](C)C1CCCCCC1
InChIInChI=1S/C14H27N3O2/c1-10(12-8-6-4-5-7-9-12)16-11(2)13(18)17-14(19)15-3/h10-12,16H,4-9H2,1-3H3,(H2,15,17,18,19)/t10-,11?/m1/s1
InChIKeyKCIMBAUHPLDLMK-NFJWQWPMSA-N
XLogP1.78
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-cyclohexylethyl]amino]-N-methylpropanamide
CID 81384429
N-carbamoyl-2-(1-cyclohexylethylamino)propanamide
CID 62405397
N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]propanamide
CID 81391633
N-carbamoyl-2-[[(1R)-1-cyclopentylethyl]amino]propanamide
CID 81394882
N-cyclohexyl-2-[[(1R)-1-cyclohexylethyl]amino]propanamide
CID 81384882
N-cyclohexyl-2-[[(1S)-1-cyclohexylethyl]amino]propanamide
CID 81384329
2-(1-cyclohexylethylamino)-N-cyclopropylpropanamide
CID 62405745
N-carbamoyl-2-(1-cyclobutylethylamino)propanamide
CID 115766420
N-tert-butyl-2-(1-cyclohexylethylamino)propanamide
CID 62405402
2-[[(1R)-1-cyclohexylethyl]amino]-N-(2-methylpropyl)propanamide
CID 81385143
N-carbamoyl-2-(1-cyclopropylethylamino)propanamide
CID 43401268
N-tert-butyl-2-[[(1R)-1-cyclopentylethyl]amino]propanamide
CID 81394701

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-cycloheptylethyl]amino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[[(1R)-1-cycloheptylethyl]amino]-N-(methylcarbamoyl)propanamide (CID 81392646) is 2-[[(1R)-1-cycloheptylethyl]amino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[[(1R)-1-cycloheptylethyl]amino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[[(1R)-1-cycloheptylethyl]amino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)N[C@H](C)C1CCCCCC1.
What is the InChIKey of 2-[[(1R)-1-cycloheptylethyl]amino]-N-(methylcarbamoyl)propanamide?
The InChIKey is KCIMBAUHPLDLMK-NFJWQWPMSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-10(12-8-6-4-5-7-9-12)16-11(2)13(18)17-14(19)15-3/h10-12,16H,4-9H2,1-3H3,(H2,15,17,18,19)/t10-,11?/m1/s1.
What are the key properties of 2-[[(1R)-1-cycloheptylethyl]amino]-N-(methylcarbamoyl)propanamide?
2-[[(1R)-1-cycloheptylethyl]amino]-N-(methylcarbamoyl)propanamide has a molecular weight of 269.39 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-cycloheptylethyl]amino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 81392646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).