methyl N-[4-[[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl]amino]phenyl]carbamate

C19H24N4O3 — CID 94643027

IUPACmethyl N-[4-[[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H24N4O3/c1-13(18(24)21-15-9-11-17(12-10-15)23(2)3)20-14-5-7-16(8-6-14)22-19(25)26-4/h5-13,20H,1-4H3,(H,21,24)(H,22,25)/t13-/m1/s1
InChIKeyZHJZLKSLJURBBB-CYBMUJFWSA-N
MW356.43 g/mol
LogP3.37
Rot. Bonds6

About methyl N-[4-[[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl]amino]phenyl]carbamate

methyl N-[4-[[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl]amino]phenyl]carbamate (PubChem CID 94643027) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is methyl N-[4-[[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl]amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl]amino]phenyl]carbamate
PubChem CID94643027
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Namemethyl N-[4-[[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H24N4O3/c1-13(18(24)21-15-9-11-17(12-10-15)23(2)3)20-14-5-7-16(8-6-14)22-19(25)26-4/h5-13,20H,1-4H3,(H,21,24)(H,22,25)/t13-/m1/s1
InChIKeyZHJZLKSLJURBBB-CYBMUJFWSA-N
XLogP3.37
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

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CID 41236597
N-[4-(dimethylamino)phenyl]-2-(4-phenylmethoxyanilino)propanamide
CID 154774074
methyl N-[4-(2-chloropropanoylamino)phenyl]carbamate
CID 43701229
(2R)-N-[4-(dimethylamino)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide
CID 9299409
2-[4-(dimethylamino)anilino]-N-pentan-2-ylpropanamide
CID 43617104
(2R)-N-[4-(dimethylamino)phenyl]-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]propanamide
CID 25363076
methyl N-[4-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 87033176
2-[4-(dimethylamino)anilino]-N-(2-methylbutan-2-yl)propanamide
CID 43617105
4-O-[1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55308126
ethyl N-[4-[[1-(4-chloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 60542440
methyl N-[4-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]carbamate
CID 60517999
N-[4-(dimethylamino)phenyl]-2-methylpropanamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 157344760

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl]amino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl]amino]phenyl]carbamate (CID 94643027) is methyl N-[4-[[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl]amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl]amino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl]amino]phenyl]carbamate is COC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of methyl N-[4-[[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl]amino]phenyl]carbamate?
The InChIKey is ZHJZLKSLJURBBB-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13(18(24)21-15-9-11-17(12-10-15)23(2)3)20-14-5-7-16(8-6-14)22-19(25)26-4/h5-13,20H,1-4H3,(H,21,24)(H,22,25)/t13-/m1/s1.
What are the key properties of methyl N-[4-[[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl]amino]phenyl]carbamate?
methyl N-[4-[[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl]amino]phenyl]carbamate has a molecular weight of 356.43 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl]amino]phenyl]carbamate is sourced from PubChem (CID 94643027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).