3-[[3-(1H-imidazol-5-yl)phenyl]carbamoyl-methylamino]-N-methylbutanamide

C16H21N5O2 — CID 118774173

IUPAC3-[[3-(1H-imidazol-5-yl)phenyl]carbamoyl-methylamino]-N-methylbutanamide
SMILESCNC(=O)CC(C)N(C)C(=O)Nc1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C16H21N5O2/c1-11(7-15(22)17-2)21(3)16(23)20-13-6-4-5-12(8-13)14-9-18-10-19-14/h4-6,8-11H,7H2,1-3H3,(H,17,22)(H,18,19)(H,20,23)
InChIKeyJHMCBJAZUROXTD-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.07
Rot. Bonds5

About 3-[[3-(1H-imidazol-5-yl)phenyl]carbamoyl-methylamino]-N-methylbutanamide

3-[[3-(1H-imidazol-5-yl)phenyl]carbamoyl-methylamino]-N-methylbutanamide (PubChem CID 118774173) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-[[3-(1H-imidazol-5-yl)phenyl]carbamoyl-methylamino]-N-methylbutanamide.

Molecular Properties

Compound Name3-[[3-(1H-imidazol-5-yl)phenyl]carbamoyl-methylamino]-N-methylbutanamide
PubChem CID118774173
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name3-[[3-(1H-imidazol-5-yl)phenyl]carbamoyl-methylamino]-N-methylbutanamide
SMILESCNC(=O)CC(C)N(C)C(=O)Nc1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C16H21N5O2/c1-11(7-15(22)17-2)21(3)16(23)20-13-6-4-5-12(8-13)14-9-18-10-19-14/h4-6,8-11H,7H2,1-3H3,(H,17,22)(H,18,19)(H,20,23)
InChIKeyJHMCBJAZUROXTD-UHFFFAOYSA-N
XLogP2.07
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)ethyl]-1-ethyl-3-[3-(1H-imidazol-5-yl)phenyl]urea
CID 118778285
N-[3-(1H-imidazol-5-yl)phenyl]-3,3-dimethylbutanamide
CID 110668596
N-[3-(1H-imidazol-5-yl)phenyl]-2-(2-methoxyphenyl)acetamide
CID 110668610
1-ethyl-N-[3-(1H-imidazol-5-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 131926620
N-[3-(1H-imidazol-5-yl)phenyl]-3,5-dimethoxybenzamide
CID 110668555
5-[3-[methyl-[4-(methylamino)-4-oxobutan-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 119061866
(3R)-3-[1,3-benzothiazol-5-ylcarbamoyl(methyl)amino]-N-methylbutanamide
CID 125167132
N-[3-(1H-imidazol-5-yl)phenyl]cyclopentanecarboxamide
CID 110668538
1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
CID 110010397
2-(4-chlorophenoxy)-N-[3-(1H-imidazol-5-yl)phenyl]acetamide
CID 110668566
3-(4-amino-3-pyridinyl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide
CID 126446674
N-[3-(1H-imidazol-5-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 131951100

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1H-imidazol-5-yl)phenyl]carbamoyl-methylamino]-N-methylbutanamide?
The IUPAC name of 3-[[3-(1H-imidazol-5-yl)phenyl]carbamoyl-methylamino]-N-methylbutanamide (CID 118774173) is 3-[[3-(1H-imidazol-5-yl)phenyl]carbamoyl-methylamino]-N-methylbutanamide.
What is the SMILES notation for 3-[[3-(1H-imidazol-5-yl)phenyl]carbamoyl-methylamino]-N-methylbutanamide?
The canonical SMILES for 3-[[3-(1H-imidazol-5-yl)phenyl]carbamoyl-methylamino]-N-methylbutanamide is CNC(=O)CC(C)N(C)C(=O)Nc1cccc(-c2cnc[nH]2)c1.
What is the InChIKey of 3-[[3-(1H-imidazol-5-yl)phenyl]carbamoyl-methylamino]-N-methylbutanamide?
The InChIKey is JHMCBJAZUROXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11(7-15(22)17-2)21(3)16(23)20-13-6-4-5-12(8-13)14-9-18-10-19-14/h4-6,8-11H,7H2,1-3H3,(H,17,22)(H,18,19)(H,20,23).
What are the key properties of 3-[[3-(1H-imidazol-5-yl)phenyl]carbamoyl-methylamino]-N-methylbutanamide?
3-[[3-(1H-imidazol-5-yl)phenyl]carbamoyl-methylamino]-N-methylbutanamide has a molecular weight of 315.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1H-imidazol-5-yl)phenyl]carbamoyl-methylamino]-N-methylbutanamide is sourced from PubChem (CID 118774173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).