(2S)-N-carbamoyl-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]propanamide

C17H27N3O2 — CID 8970695

IUPAC(2S)-N-carbamoyl-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]propanamide
SMILESCCCc1ccc([C@H](N[C@@H](C)C(=O)NC(N)=O)C(C)C)cc1
InChIInChI=1S/C17H27N3O2/c1-5-6-13-7-9-14(10-8-13)15(11(2)3)19-12(4)16(21)20-17(18)22/h7-12,15,19H,5-6H2,1-4H3,(H3,18,20,21,22)/t12-,15+/m0/s1
InChIKeyDMWNNVWDPQOCRN-SWLSCSKDSA-N
MW305.42 g/mol
LogP2.51
Rot. Bonds7

About (2S)-N-carbamoyl-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]propanamide

(2S)-N-carbamoyl-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]propanamide (PubChem CID 8970695) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2S)-N-carbamoyl-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-carbamoyl-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]propanamide
PubChem CID8970695
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(2S)-N-carbamoyl-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]propanamide
SMILESCCCc1ccc([C@H](N[C@@H](C)C(=O)NC(N)=O)C(C)C)cc1
InChIInChI=1S/C17H27N3O2/c1-5-6-13-7-9-14(10-8-13)15(11(2)3)19-12(4)16(21)20-17(18)22/h7-12,15,19H,5-6H2,1-4H3,(H3,18,20,21,22)/t12-,15+/m0/s1
InChIKeyDMWNNVWDPQOCRN-SWLSCSKDSA-N
XLogP2.51
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-carbamoylpropanamide
CID 9129644
methyl N-[(2S)-2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]propanoyl]carbamate
CID 8998518
(2R)-2-amino-N-[2-methyl-1-(4-propylphenyl)propyl]propanamide
CID 119273049
(2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide
CID 8992288
(2R)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propanamide
CID 8996102
(2S)-2-[[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propanamide
CID 8996099
(2R)-N-(4-acetamidophenyl)-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]propanamide
CID 8992097
N,N-dimethyl-2-[[2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 78818491
N-carbamoyl-2-[1-(4-methylphenyl)ethylamino]propanamide
CID 47320879
2-[1-(4-propylphenyl)ethylamino]propanoic acid
CID 54959765
(2R)-N-carbamoyl-2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 8769401
3-amino-N-[2-methyl-1-(4-propylphenyl)propyl]cyclopentane-1-carboxamide
CID 119692874

Frequently Asked Questions

What is the IUPAC name of (2S)-N-carbamoyl-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]propanamide?
The IUPAC name of (2S)-N-carbamoyl-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]propanamide (CID 8970695) is (2S)-N-carbamoyl-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]propanamide.
What is the SMILES notation for (2S)-N-carbamoyl-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]propanamide?
The canonical SMILES for (2S)-N-carbamoyl-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]propanamide is CCCc1ccc([C@H](N[C@@H](C)C(=O)NC(N)=O)C(C)C)cc1.
What is the InChIKey of (2S)-N-carbamoyl-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]propanamide?
The InChIKey is DMWNNVWDPQOCRN-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-5-6-13-7-9-14(10-8-13)15(11(2)3)19-12(4)16(21)20-17(18)22/h7-12,15,19H,5-6H2,1-4H3,(H3,18,20,21,22)/t12-,15+/m0/s1.
What are the key properties of (2S)-N-carbamoyl-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]propanamide?
(2S)-N-carbamoyl-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]propanamide has a molecular weight of 305.42 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-carbamoyl-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]propanamide is sourced from PubChem (CID 8970695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).