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

C13H25N3O2 — CID 81391633

IUPACN-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]propanamide
SMILESCC(N[C@H](C)C1CCCCCC1)C(=O)NC(N)=O
InChIInChI=1S/C13H25N3O2/c1-9(11-7-5-3-4-6-8-11)15-10(2)12(17)16-13(14)18/h9-11,15H,3-8H2,1-2H3,(H3,14,16,17,18)/t9-,10?/m1/s1
InChIKeyGKCNEPOVXBZXTN-YHMJZVADSA-N
MW255.36 g/mol
LogP1.52
Rot. Bonds4

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

N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]propanamide (PubChem CID 81391633) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]propanamide
PubChem CID81391633
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]propanamide
SMILESCC(N[C@H](C)C1CCCCCC1)C(=O)NC(N)=O
InChIInChI=1S/C13H25N3O2/c1-9(11-7-5-3-4-6-8-11)15-10(2)12(17)16-13(14)18/h9-11,15H,3-8H2,1-2H3,(H3,14,16,17,18)/t9-,10?/m1/s1
InChIKeyGKCNEPOVXBZXTN-YHMJZVADSA-N
XLogP1.52
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-carbamoyl-2-(1-cyclohexylethylamino)propanamide
CID 62405397
N-carbamoyl-2-[[(1R)-1-cyclopentylethyl]amino]propanamide
CID 81394882
N-carbamoyl-2-(1-cyclobutylethylamino)propanamide
CID 115766420
N-carbamoyl-2-(1-cyclopropylethylamino)propanamide
CID 43401268
2-[[(1R)-1-cycloheptylethyl]amino]-N-(methylcarbamoyl)propanamide
CID 81392646
N-cyclohexyl-2-[[(1S)-1-cyclohexylethyl]amino]propanamide
CID 81384329
2-[[(1S)-1-cyclohexylethyl]amino]-N-methylpropanamide
CID 81384429
N-cyclohexyl-2-[[(1R)-1-cyclohexylethyl]amino]propanamide
CID 81384882
2-(1-cyclohexylethylamino)-N-cyclopropylpropanamide
CID 62405745
methyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate
CID 81386105
N-tert-butyl-2-(1-cyclohexylethylamino)propanamide
CID 62405402
2-[[(1R)-1-cyclohexylethyl]amino]-N-(2-methylpropyl)propanamide
CID 81385143

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]propanamide?
The IUPAC name of N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]propanamide (CID 81391633) is N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]propanamide.
What is the SMILES notation for N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]propanamide?
The canonical SMILES for N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]propanamide is CC(N[C@H](C)C1CCCCCC1)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]propanamide?
The InChIKey is GKCNEPOVXBZXTN-YHMJZVADSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-9(11-7-5-3-4-6-8-11)15-10(2)12(17)16-13(14)18/h9-11,15H,3-8H2,1-2H3,(H3,14,16,17,18)/t9-,10?/m1/s1.
What are the key properties of N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]propanamide?
N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]propanamide has a molecular weight of 255.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]propanamide is sourced from PubChem (CID 81391633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).