(2S)-N-methyl-2-[methyl(naphthalen-2-yl)amino]-N-phenylpropanamide

C21H22N2O — CID 8593153

IUPAC(2S)-N-methyl-2-[methyl(naphthalen-2-yl)amino]-N-phenylpropanamide
SMILESC[C@@H](C(=O)N(C)c1ccccc1)N(C)c1ccc2ccccc2c1
InChIInChI=1S/C21H22N2O/c1-16(21(24)23(3)19-11-5-4-6-12-19)22(2)20-14-13-17-9-7-8-10-18(17)15-20/h4-16H,1-3H3/t16-/m0/s1
InChIKeyNUTGPHJJOCINHZ-INIZCTEOSA-N
MW318.42 g/mol
LogP4.33
Rot. Bonds4

About (2S)-N-methyl-2-[methyl(naphthalen-2-yl)amino]-N-phenylpropanamide

(2S)-N-methyl-2-[methyl(naphthalen-2-yl)amino]-N-phenylpropanamide (PubChem CID 8593153) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is (2S)-N-methyl-2-[methyl(naphthalen-2-yl)amino]-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-[methyl(naphthalen-2-yl)amino]-N-phenylpropanamide
PubChem CID8593153
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name(2S)-N-methyl-2-[methyl(naphthalen-2-yl)amino]-N-phenylpropanamide
SMILESC[C@@H](C(=O)N(C)c1ccccc1)N(C)c1ccc2ccccc2c1
InChIInChI=1S/C21H22N2O/c1-16(21(24)23(3)19-11-5-4-6-12-19)22(2)20-14-13-17-9-7-8-10-18(17)15-20/h4-16H,1-3H3/t16-/m0/s1
InChIKeyNUTGPHJJOCINHZ-INIZCTEOSA-N
XLogP4.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-[methyl(naphthalen-2-yl)amino]propanamide
CID 78613802
2-[methyl(naphthalen-2-yl)amino]-N-pyrimidin-2-ylpropanamide
CID 78834676
2-(7-methoxynaphthalen-2-yl)oxy-N-methyl-N-phenylpropanamide
CID 42899705
N-methyl-N-naphthalen-2-ylnaphthalene-2-carboxamide
CID 26904267
N-(cyclopentylcarbamoyl)-2-[methyl(naphthalen-2-yl)amino]propanamide
CID 78818923
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-naphthalen-2-ylsulfanylacetate
CID 2541898
4-[methyl(naphthalene-2-carbonyl)amino]benzoic acid
CID 44726898
(2R)-N-methyl-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide
CID 9049639
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[methyl(naphthalen-2-yl)amino]propanamide
CID 78789203
(2S)-3-(3-fluorophenyl)-N,2-dimethyl-N-naphthalen-2-ylpropanamide
CID 97020341
2-[methyl(naphthalen-2-yl)amino]-N-(3-sulfamoylphenyl)propanamide
CID 78818809
N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(naphthalen-2-yl)amino]propanamide
CID 78732784

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-[methyl(naphthalen-2-yl)amino]-N-phenylpropanamide?
The IUPAC name of (2S)-N-methyl-2-[methyl(naphthalen-2-yl)amino]-N-phenylpropanamide (CID 8593153) is (2S)-N-methyl-2-[methyl(naphthalen-2-yl)amino]-N-phenylpropanamide.
What is the SMILES notation for (2S)-N-methyl-2-[methyl(naphthalen-2-yl)amino]-N-phenylpropanamide?
The canonical SMILES for (2S)-N-methyl-2-[methyl(naphthalen-2-yl)amino]-N-phenylpropanamide is C[C@@H](C(=O)N(C)c1ccccc1)N(C)c1ccc2ccccc2c1.
What is the InChIKey of (2S)-N-methyl-2-[methyl(naphthalen-2-yl)amino]-N-phenylpropanamide?
The InChIKey is NUTGPHJJOCINHZ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H22N2O/c1-16(21(24)23(3)19-11-5-4-6-12-19)22(2)20-14-13-17-9-7-8-10-18(17)15-20/h4-16H,1-3H3/t16-/m0/s1.
What are the key properties of (2S)-N-methyl-2-[methyl(naphthalen-2-yl)amino]-N-phenylpropanamide?
(2S)-N-methyl-2-[methyl(naphthalen-2-yl)amino]-N-phenylpropanamide has a molecular weight of 318.42 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-[methyl(naphthalen-2-yl)amino]-N-phenylpropanamide is sourced from PubChem (CID 8593153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).