N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide

C17H26N4O3 — CID 86983303

IUPACN-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCCC(C)C(NC(=O)c1cccc(NC(=O)NC(C)C)c1)C(N)=O
InChIInChI=1S/C17H26N4O3/c1-5-11(4)14(15(18)22)21-16(23)12-7-6-8-13(9-12)20-17(24)19-10(2)3/h6-11,14H,5H2,1-4H3,(H2,18,22)(H,21,23)(H2,19,20,24)
InChIKeyILODWOQVVYUJQV-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.85
Rot. Bonds7

About N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide

N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 86983303) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide
PubChem CID86983303
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCCC(C)C(NC(=O)c1cccc(NC(=O)NC(C)C)c1)C(N)=O
InChIInChI=1S/C17H26N4O3/c1-5-11(4)14(15(18)22)21-16(23)12-7-6-8-13(9-12)20-17(24)19-10(2)3/h6-11,14H,5H2,1-4H3,(H2,18,22)(H,21,23)(H2,19,20,24)
InChIKeyILODWOQVVYUJQV-UHFFFAOYSA-N
XLogP1.85
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid
CID 119211691
N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide
CID 38039799
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
2-[(3-carbamoylbenzoyl)amino]-3-methylpentanoic acid
CID 60858023
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide
CID 78773277
N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 78869572
(2R)-4-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid
CID 119364531
3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197365
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425
3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide
CID 54995638
3-methyl-2-[[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]pentanamide
CID 86983305
N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55814774

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide (CID 86983303) is N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide is CCC(C)C(NC(=O)c1cccc(NC(=O)NC(C)C)c1)C(N)=O.
What is the InChIKey of N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is ILODWOQVVYUJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-5-11(4)14(15(18)22)21-16(23)12-7-6-8-13(9-12)20-17(24)19-10(2)3/h6-11,14H,5H2,1-4H3,(H2,18,22)(H,21,23)(H2,19,20,24).
What are the key properties of N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide?
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 334.42 g/mol, XLogP of 1.85, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 86983303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).