(2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide

C19H21N3O2 — CID 27205425

IUPAC(2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide
SMILESCOc1ccccc1CN(C)[C@@H](C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H21N3O2/c1-14(19(23)21-17-9-6-7-15(11-17)12-20)22(2)13-16-8-4-5-10-18(16)24-3/h4-11,14H,13H2,1-3H3,(H,21,23)/t14-/m0/s1
InChIKeyMWEGJTCUANUAPP-AWEZNQCLSA-N
MW323.40 g/mol
LogP3.03
Rot. Bonds6

About (2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide

(2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide (PubChem CID 27205425) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide
PubChem CID27205425
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide
SMILESCOc1ccccc1CN(C)[C@@H](C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H21N3O2/c1-14(19(23)21-17-9-6-7-15(11-17)12-20)22(2)13-16-8-4-5-10-18(16)24-3/h4-11,14H,13H2,1-3H3,(H,21,23)/t14-/m0/s1
InChIKeyMWEGJTCUANUAPP-AWEZNQCLSA-N
XLogP3.03
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-cyanophenyl)propanamide
CID 17391982
(2R)-N-(3-cyanophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 9432176
N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271245
3-(3-cyanophenyl)-1-cyclopropyl-1-[(2-methoxyphenyl)methyl]urea
CID 47049656
(2S)-N-(3-cyanophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 8008538
2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide
CID 42911942
(2R)-N-(3-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
CID 9102045
N-(3-cyanophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985825
(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3-cyanophenyl)propanamide
CID 8747232
N-(3-cyanophenyl)-2-(2-methoxyanilino)propanamide
CID 17397309
(2S)-N-(3-acetylphenyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]propanamide
CID 8805401
N-(3-cyanophenyl)-2-(diethylamino)propanamide
CID 43176773

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide?
The IUPAC name of (2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide (CID 27205425) is (2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide.
What is the SMILES notation for (2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide?
The canonical SMILES for (2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide is COc1ccccc1CN(C)[C@@H](C)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of (2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide?
The InChIKey is MWEGJTCUANUAPP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14(19(23)21-17-9-6-7-15(11-17)12-20)22(2)13-16-8-4-5-10-18(16)24-3/h4-11,14H,13H2,1-3H3,(H,21,23)/t14-/m0/s1.
What are the key properties of (2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide?
(2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide has a molecular weight of 323.40 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 27205425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).