2-methyl-N-[4-[[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]propanamide

C19H22N4O4 — CID 32737357

IUPAC2-methyl-N-[4-[[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H22N4O4/c1-12(2)18(24)21-15-6-4-14(5-7-15)20-13(3)19(25)22-16-8-10-17(11-9-16)23(26)27/h4-13,20H,1-3H3,(H,21,24)(H,22,25)/t13-/m1/s1
InChIKeyXUJCGAROBSHJAH-CYBMUJFWSA-N
MW370.41 g/mol
LogP3.63
Rot. Bonds7

About 2-methyl-N-[4-[[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]propanamide

2-methyl-N-[4-[[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]propanamide (PubChem CID 32737357) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-methyl-N-[4-[[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]propanamide
PubChem CID32737357
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name2-methyl-N-[4-[[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H22N4O4/c1-12(2)18(24)21-15-6-4-14(5-7-15)20-13(3)19(25)22-16-8-10-17(11-9-16)23(26)27/h4-13,20H,1-3H3,(H,21,24)(H,22,25)/t13-/m1/s1
InChIKeyXUJCGAROBSHJAH-CYBMUJFWSA-N
XLogP3.63
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluoroanilino)-N-(4-nitrophenyl)propanamide
CID 47005812
N-[4-[[1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide
CID 55351370
4-chloro-N-[4-[[1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]benzamide
CID 60582964
(2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(4-nitrophenyl)propanamide
CID 25408377
(2S)-2-(4-nitroanilino)propanoic acid;hydrochloride
CID 69175766
2-(4-nitroanilino)propanamide
CID 43400796
2-(2,3-dimethylanilino)-N-(4-nitrophenyl)propanamide
CID 46799647
2-methyl-N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 1295054
(2R)-2-amino-3,3-dimethyl-N-(4-nitrophenyl)butanamide
CID 103928418
2-ethyl-N-(4-nitrophenyl)butanamide
CID 2931276
2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253
2-methyl-N-[(1S)-2,2,2-trichloro-1-(4-nitroanilino)ethyl]propanamide
CID 7452222

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]propanamide (CID 32737357) is 2-methyl-N-[4-[[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]propanamide is CC(C)C(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-methyl-N-[4-[[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]propanamide?
The InChIKey is XUJCGAROBSHJAH-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-12(2)18(24)21-15-6-4-14(5-7-15)20-13(3)19(25)22-16-8-10-17(11-9-16)23(26)27/h4-13,20H,1-3H3,(H,21,24)(H,22,25)/t13-/m1/s1.
What are the key properties of 2-methyl-N-[4-[[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]propanamide?
2-methyl-N-[4-[[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]propanamide has a molecular weight of 370.41 g/mol, XLogP of 3.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]propanamide is sourced from PubChem (CID 32737357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).