N-[2-(N-[2-(N-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]imidazole-1-carboxamide

C21H21N5O3 — CID 14996932

IUPACN-[2-(N-[2-(N-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]imidazole-1-carboxamide
SMILESCN(C(=O)CN(C(=O)CNC(=O)n1ccnc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N5O3/c1-24(17-8-4-2-5-9-17)20(28)15-26(18-10-6-3-7-11-18)19(27)14-23-21(29)25-13-12-22-16-25/h2-13,16H,14-15H2,1H3,(H,23,29)
InChIKeyPYWWDEPPLHQJHQ-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.14
Rot. Bonds6

About N-[2-(N-[2-(N-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]imidazole-1-carboxamide

N-[2-(N-[2-(N-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]imidazole-1-carboxamide (PubChem CID 14996932) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[2-(N-[2-(N-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(N-[2-(N-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]imidazole-1-carboxamide
PubChem CID14996932
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN-[2-(N-[2-(N-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]imidazole-1-carboxamide
SMILESCN(C(=O)CN(C(=O)CNC(=O)n1ccnc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N5O3/c1-24(17-8-4-2-5-9-17)20(28)15-26(18-10-6-3-7-11-18)19(27)14-23-21(29)25-13-12-22-16-25/h2-13,16H,14-15H2,1H3,(H,23,29)
InChIKeyPYWWDEPPLHQJHQ-UHFFFAOYSA-N
XLogP2.14
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(diethylamino)-2-phenylethyl]imidazole-1-carboxamide
CID 39871151
[2-[methyl(pyridin-3-yl)amino]-2-oxoethyl]carbamic acid
CID 174507293
N-(2-methyl-2-phenylpropyl)imidazole-1-carboxamide
CID 81269387
N-[2-(N-methylanilino)-2-oxoethyl]benzamide
CID 12674158
methyl N-[2-(N-methylanilino)-2-oxoethyl]carbamate
CID 112996292
N-[(2-hydroxyphenyl)methyl]imidazole-1-carboxamide
CID 114332839
N-[2-(ethylamino)-2-oxoethyl]imidazole-1-carboxamide
CID 43566693
2-[[3-(1-methoxyethyl)phenyl]carbamoylamino]-N-[2-(N-methylanilino)-2-oxoethyl]-N-phenylacetamide
CID 14997008
(E)-3-[3-[[2-(N-[2-(N-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]carbamoylamino]phenyl]prop-2-enoic acid
CID 14997027
N-methyl-4-[[2-(N-methylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838219
N-[4-(dimethylamino)phenyl]imidazole-1-carboxamide
CID 81257453
N-[2-(N-methylanilino)-2-oxoethyl]-2,2-diphenylacetamide
CID 112996260

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-[2-(N-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]imidazole-1-carboxamide?
The IUPAC name of N-[2-(N-[2-(N-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]imidazole-1-carboxamide (CID 14996932) is N-[2-(N-[2-(N-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[2-(N-[2-(N-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]imidazole-1-carboxamide?
The canonical SMILES for N-[2-(N-[2-(N-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]imidazole-1-carboxamide is CN(C(=O)CN(C(=O)CNC(=O)n1ccnc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(N-[2-(N-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]imidazole-1-carboxamide?
The InChIKey is PYWWDEPPLHQJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-24(17-8-4-2-5-9-17)20(28)15-26(18-10-6-3-7-11-18)19(27)14-23-21(29)25-13-12-22-16-25/h2-13,16H,14-15H2,1H3,(H,23,29).
What are the key properties of N-[2-(N-[2-(N-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]imidazole-1-carboxamide?
N-[2-(N-[2-(N-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]imidazole-1-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-[2-(N-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]imidazole-1-carboxamide is sourced from PubChem (CID 14996932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).