N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide

C14H21N3O3 — CID 78869572

IUPACN-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(O)CNC(=O)c1cccc(NC(=O)NC(C)C)c1
InChIInChI=1S/C14H21N3O3/c1-9(2)16-14(20)17-12-6-4-5-11(7-12)13(19)15-8-10(3)18/h4-7,9-10,18H,8H2,1-3H3,(H,15,19)(H2,16,17,20)
InChIKeyCZYIWKNIYDNRSD-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.33
Rot. Bonds5

About N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide

N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 78869572) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
PubChem CID78869572
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(O)CNC(=O)c1cccc(NC(=O)NC(C)C)c1
InChIInChI=1S/C14H21N3O3/c1-9(2)16-14(20)17-12-6-4-5-11(7-12)13(19)15-8-10(3)18/h4-7,9-10,18H,8H2,1-3H3,(H,15,19)(H2,16,17,20)
InChIKeyCZYIWKNIYDNRSD-UHFFFAOYSA-N
XLogP1.33
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]propanoic acid
CID 119254635
3-(propan-2-ylcarbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 38024268
N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55814774
N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 46437560
3-(cyclohexanecarbonylamino)-N-(2-hydroxypropyl)benzamide
CID 78866245
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide
CID 38039799
N-[3-(2-hydroxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 78897732
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55932655
(2R)-4-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid
CID 119364531
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 46439821
N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide
CID 55968925

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide (CID 78869572) is N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide is CC(O)CNC(=O)c1cccc(NC(=O)NC(C)C)c1.
What is the InChIKey of N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is CZYIWKNIYDNRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(2)16-14(20)17-12-6-4-5-11(7-12)13(19)15-8-10(3)18/h4-7,9-10,18H,8H2,1-3H3,(H,15,19)(H2,16,17,20).
What are the key properties of N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide?
N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 279.34 g/mol, XLogP of 1.33, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 78869572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).