(3S)-N,N-dimethyl-3-[[methyl-[(2S)-pentan-2-yl]carbamoyl]amino]-3-phenylpropanamide

C18H29N3O2 — CID 94797585

IUPAC(3S)-N,N-dimethyl-3-[[methyl-[(2S)-pentan-2-yl]carbamoyl]amino]-3-phenylpropanamide
SMILESCCC[C@H](C)N(C)C(=O)N[C@@H](CC(=O)N(C)C)c1ccccc1
InChIInChI=1S/C18H29N3O2/c1-6-10-14(2)21(5)18(23)19-16(13-17(22)20(3)4)15-11-8-7-9-12-15/h7-9,11-12,14,16H,6,10,13H2,1-5H3,(H,19,23)/t14-,16-/m0/s1
InChIKeyHPUHOPPRCDXVDC-HOCLYGCPSA-N
MW319.45 g/mol
LogP3.04
Rot. Bonds7

About (3S)-N,N-dimethyl-3-[[methyl-[(2S)-pentan-2-yl]carbamoyl]amino]-3-phenylpropanamide

(3S)-N,N-dimethyl-3-[[methyl-[(2S)-pentan-2-yl]carbamoyl]amino]-3-phenylpropanamide (PubChem CID 94797585) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-3-[[methyl-[(2S)-pentan-2-yl]carbamoyl]amino]-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-3-[[methyl-[(2S)-pentan-2-yl]carbamoyl]amino]-3-phenylpropanamide
PubChem CID94797585
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name(3S)-N,N-dimethyl-3-[[methyl-[(2S)-pentan-2-yl]carbamoyl]amino]-3-phenylpropanamide
SMILESCCC[C@H](C)N(C)C(=O)N[C@@H](CC(=O)N(C)C)c1ccccc1
InChIInChI=1S/C18H29N3O2/c1-6-10-14(2)21(5)18(23)19-16(13-17(22)20(3)4)15-11-8-7-9-12-15/h7-9,11-12,14,16H,6,10,13H2,1-5H3,(H,19,23)/t14-,16-/m0/s1
InChIKeyHPUHOPPRCDXVDC-HOCLYGCPSA-N
XLogP3.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 40591318
N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]-3-phenylpropanamide
CID 142268155
(3R)-3-(carbamoylamino)-N-methyl-3-phenyl-N-[(1R)-1-phenylethyl]propanamide
CID 41327189
2-[(3-acetamido-3-phenylpropanoyl)-methylamino]propanoic acid
CID 119209228
(3S)-N,N-dimethyl-3-[(4-methylphenyl)carbamoylamino]-3-phenylpropanamide
CID 94782001
N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 47072597
(3R)-3-[(4-fluorophenyl)carbamoylamino]-N,N-dimethyl-3-phenylpropanamide
CID 94782805
3-acetamido-N,N-diethyl-3-phenylpropanamide
CID 78777211
N-[(1S)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-ethyl-4-methylfuran-2-carboxamide
CID 97226096
2-[ethyl(methyl)amino]-N-(1-phenylbutyl)propanamide
CID 60516767
N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 94675875
N-[3-[1-(4-fluorophenyl)ethyl-methylamino]-3-oxo-1-phenylpropyl]benzamide
CID 46647738

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-3-[[methyl-[(2S)-pentan-2-yl]carbamoyl]amino]-3-phenylpropanamide?
The IUPAC name of (3S)-N,N-dimethyl-3-[[methyl-[(2S)-pentan-2-yl]carbamoyl]amino]-3-phenylpropanamide (CID 94797585) is (3S)-N,N-dimethyl-3-[[methyl-[(2S)-pentan-2-yl]carbamoyl]amino]-3-phenylpropanamide.
What is the SMILES notation for (3S)-N,N-dimethyl-3-[[methyl-[(2S)-pentan-2-yl]carbamoyl]amino]-3-phenylpropanamide?
The canonical SMILES for (3S)-N,N-dimethyl-3-[[methyl-[(2S)-pentan-2-yl]carbamoyl]amino]-3-phenylpropanamide is CCC[C@H](C)N(C)C(=O)N[C@@H](CC(=O)N(C)C)c1ccccc1.
What is the InChIKey of (3S)-N,N-dimethyl-3-[[methyl-[(2S)-pentan-2-yl]carbamoyl]amino]-3-phenylpropanamide?
The InChIKey is HPUHOPPRCDXVDC-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-6-10-14(2)21(5)18(23)19-16(13-17(22)20(3)4)15-11-8-7-9-12-15/h7-9,11-12,14,16H,6,10,13H2,1-5H3,(H,19,23)/t14-,16-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-3-[[methyl-[(2S)-pentan-2-yl]carbamoyl]amino]-3-phenylpropanamide?
(3S)-N,N-dimethyl-3-[[methyl-[(2S)-pentan-2-yl]carbamoyl]amino]-3-phenylpropanamide has a molecular weight of 319.45 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-3-[[methyl-[(2S)-pentan-2-yl]carbamoyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 94797585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).