N,N-dimethyl-3-[(4-methyl-2-oxochromen-7-yl)carbamoylamino]-3-phenylpropanamide

C22H23N3O4 — CID 47072840

IUPACN,N-dimethyl-3-[(4-methyl-2-oxochromen-7-yl)carbamoylamino]-3-phenylpropanamide
SMILESCc1cc(=O)oc2cc(NC(=O)NC(CC(=O)N(C)C)c3ccccc3)ccc12
InChIInChI=1S/C22H23N3O4/c1-14-11-21(27)29-19-12-16(9-10-17(14)19)23-22(28)24-18(13-20(26)25(2)3)15-7-5-4-6-8-15/h4-12,18H,13H2,1-3H3,(H2,23,24,28)
InChIKeyGRUCVMWKSFHHSR-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.44
Rot. Bonds5

About N,N-dimethyl-3-[(4-methyl-2-oxochromen-7-yl)carbamoylamino]-3-phenylpropanamide

N,N-dimethyl-3-[(4-methyl-2-oxochromen-7-yl)carbamoylamino]-3-phenylpropanamide (PubChem CID 47072840) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N,N-dimethyl-3-[(4-methyl-2-oxochromen-7-yl)carbamoylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(4-methyl-2-oxochromen-7-yl)carbamoylamino]-3-phenylpropanamide
PubChem CID47072840
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN,N-dimethyl-3-[(4-methyl-2-oxochromen-7-yl)carbamoylamino]-3-phenylpropanamide
SMILESCc1cc(=O)oc2cc(NC(=O)NC(CC(=O)N(C)C)c3ccccc3)ccc12
InChIInChI=1S/C22H23N3O4/c1-14-11-21(27)29-19-12-16(9-10-17(14)19)23-22(28)24-18(13-20(26)25(2)3)15-7-5-4-6-8-15/h4-12,18H,13H2,1-3H3,(H2,23,24,28)
InChIKeyGRUCVMWKSFHHSR-UHFFFAOYSA-N
XLogP3.44
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[(1S)-3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxo-1-phenylpropyl]carbamate
CID 124548823
(3S)-N,N-dimethyl-3-[(4-methylphenyl)carbamoylamino]-3-phenylpropanamide
CID 94782001
1-(4-methyl-2-oxochromen-7-yl)-3-[(2S)-2-phenylpropyl]urea
CID 94756587
(3R)-3-[(4-fluorophenyl)carbamoylamino]-N,N-dimethyl-3-phenylpropanamide
CID 94782805
(3R)-N-(4-methyl-2-oxochromen-7-yl)-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 126341390
N-(4-methyl-2-oxochromen-7-yl)-2-phenylpentanamide
CID 16551195
1-tert-butyl-3-(4-methyl-2-oxochromen-7-yl)urea
CID 110749119
(3R)-3-(3-carboxypropanoylamino)-4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutanoic acid
CID 102186404
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide
CID 16551217
7-anilino-4-methylchromen-2-one
CID 804341
1-(4-methyl-2-oxochromen-7-yl)-3-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
CID 94795334

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(4-methyl-2-oxochromen-7-yl)carbamoylamino]-3-phenylpropanamide?
The IUPAC name of N,N-dimethyl-3-[(4-methyl-2-oxochromen-7-yl)carbamoylamino]-3-phenylpropanamide (CID 47072840) is N,N-dimethyl-3-[(4-methyl-2-oxochromen-7-yl)carbamoylamino]-3-phenylpropanamide.
What is the SMILES notation for N,N-dimethyl-3-[(4-methyl-2-oxochromen-7-yl)carbamoylamino]-3-phenylpropanamide?
The canonical SMILES for N,N-dimethyl-3-[(4-methyl-2-oxochromen-7-yl)carbamoylamino]-3-phenylpropanamide is Cc1cc(=O)oc2cc(NC(=O)NC(CC(=O)N(C)C)c3ccccc3)ccc12.
What is the InChIKey of N,N-dimethyl-3-[(4-methyl-2-oxochromen-7-yl)carbamoylamino]-3-phenylpropanamide?
The InChIKey is GRUCVMWKSFHHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-14-11-21(27)29-19-12-16(9-10-17(14)19)23-22(28)24-18(13-20(26)25(2)3)15-7-5-4-6-8-15/h4-12,18H,13H2,1-3H3,(H2,23,24,28).
What are the key properties of N,N-dimethyl-3-[(4-methyl-2-oxochromen-7-yl)carbamoylamino]-3-phenylpropanamide?
N,N-dimethyl-3-[(4-methyl-2-oxochromen-7-yl)carbamoylamino]-3-phenylpropanamide has a molecular weight of 393.44 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(4-methyl-2-oxochromen-7-yl)carbamoylamino]-3-phenylpropanamide is sourced from PubChem (CID 47072840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).