(2R)-2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-N-(4-nitrophenyl)propanamide

C19H23N3O5 — CID 26642114

IUPAC(2R)-2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-N-(4-nitrophenyl)propanamide
SMILESCOc1ccc(OC)c([C@@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H23N3O5/c1-12(17-11-16(26-3)9-10-18(17)27-4)20-13(2)19(23)21-14-5-7-15(8-6-14)22(24)25/h5-13,20H,1-4H3,(H,21,23)/t12-,13-/m1/s1
InChIKeyMHLWVXNRPMGIKZ-CHWSQXEVSA-N
MW373.41 g/mol
LogP3.29
Rot. Bonds8

About (2R)-2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-N-(4-nitrophenyl)propanamide

(2R)-2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-N-(4-nitrophenyl)propanamide (PubChem CID 26642114) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is (2R)-2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-N-(4-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-N-(4-nitrophenyl)propanamide
PubChem CID26642114
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name(2R)-2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-N-(4-nitrophenyl)propanamide
SMILESCOc1ccc(OC)c([C@@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H23N3O5/c1-12(17-11-16(26-3)9-10-18(17)27-4)20-13(2)19(23)21-14-5-7-15(8-6-14)22(24)25/h5-13,20H,1-4H3,(H,21,23)/t12-,13-/m1/s1
InChIKeyMHLWVXNRPMGIKZ-CHWSQXEVSA-N
XLogP3.29
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[1-(2,5-dimethoxyphenyl)ethylamino]-N-phenylpropanamide
CID 51226942
2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 45351312
(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(4-methoxyphenyl)propanamide
CID 8947121
N-(2-chlorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]propanamide
CID 51245585
(E)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 26442165
(2R)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide
CID 2111459
(2S)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide
CID 2111458
[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4-nitrobenzoate
CID 55397486
2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 17478550
2-[1-(2,5-dimethoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 43401048
N-[4-[[1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide
CID 55351370
2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-N-(4-nitrophenyl)propanamide?
The IUPAC name of (2R)-2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-N-(4-nitrophenyl)propanamide (CID 26642114) is (2R)-2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-N-(4-nitrophenyl)propanamide.
What is the SMILES notation for (2R)-2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-N-(4-nitrophenyl)propanamide?
The canonical SMILES for (2R)-2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-N-(4-nitrophenyl)propanamide is COc1ccc(OC)c([C@@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of (2R)-2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-N-(4-nitrophenyl)propanamide?
The InChIKey is MHLWVXNRPMGIKZ-CHWSQXEVSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-12(17-11-16(26-3)9-10-18(17)27-4)20-13(2)19(23)21-14-5-7-15(8-6-14)22(24)25/h5-13,20H,1-4H3,(H,21,23)/t12-,13-/m1/s1.
What are the key properties of (2R)-2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-N-(4-nitrophenyl)propanamide?
(2R)-2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-N-(4-nitrophenyl)propanamide has a molecular weight of 373.41 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-N-(4-nitrophenyl)propanamide is sourced from PubChem (CID 26642114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).