4-[(carbamoylamino)methyl]-N-[(2R)-2-hydroxypropyl]benzamide

C12H17N3O3 — CID 83031405

IUPAC4-[(carbamoylamino)methyl]-N-[(2R)-2-hydroxypropyl]benzamide
SMILESC[C@@H](O)CNC(=O)c1ccc(CNC(N)=O)cc1
InChIInChI=1S/C12H17N3O3/c1-8(16)6-14-11(17)10-4-2-9(3-5-10)7-15-12(13)18/h2-5,8,16H,6-7H2,1H3,(H,14,17)(H3,13,15,18)/t8-/m1/s1
InChIKeyDWDCEQKRBDDLMT-MRVPVSSYSA-N
MW251.29 g/mol
LogP-0.03
Rot. Bonds5

About 4-[(carbamoylamino)methyl]-N-[(2R)-2-hydroxypropyl]benzamide

4-[(carbamoylamino)methyl]-N-[(2R)-2-hydroxypropyl]benzamide (PubChem CID 83031405) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-[(2R)-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-[(2R)-2-hydroxypropyl]benzamide
PubChem CID83031405
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4-[(carbamoylamino)methyl]-N-[(2R)-2-hydroxypropyl]benzamide
SMILESC[C@@H](O)CNC(=O)c1ccc(CNC(N)=O)cc1
InChIInChI=1S/C12H17N3O3/c1-8(16)6-14-11(17)10-4-2-9(3-5-10)7-15-12(13)18/h2-5,8,16H,6-7H2,1H3,(H,14,17)(H3,13,15,18)/t8-/m1/s1
InChIKeyDWDCEQKRBDDLMT-MRVPVSSYSA-N
XLogP-0.03
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[[4-[(carbamoylamino)methyl]benzoyl]amino]-2-hydroxypropanoic acid
CID 107833643
4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide
CID 83059637
4-(bromomethyl)-N-[(2R)-2-hydroxypropyl]benzamide
CID 15608280
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
4-[(carbamoylamino)methyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 79027939
methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]propanoate
CID 60669043
N-(2-amino-2-methylpropyl)-4-[(carbamoylamino)methyl]benzamide
CID 119626305
methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]acetate
CID 43406999
4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 36557221
4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide
CID 35018877
4-[(carbamoylamino)methyl]-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 51981001
4-[(carbamoylamino)methyl]-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 31363572

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-[(2R)-2-hydroxypropyl]benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-[(2R)-2-hydroxypropyl]benzamide (CID 83031405) is 4-[(carbamoylamino)methyl]-N-[(2R)-2-hydroxypropyl]benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-[(2R)-2-hydroxypropyl]benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-[(2R)-2-hydroxypropyl]benzamide is C[C@@H](O)CNC(=O)c1ccc(CNC(N)=O)cc1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-[(2R)-2-hydroxypropyl]benzamide?
The InChIKey is DWDCEQKRBDDLMT-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8(16)6-14-11(17)10-4-2-9(3-5-10)7-15-12(13)18/h2-5,8,16H,6-7H2,1H3,(H,14,17)(H3,13,15,18)/t8-/m1/s1.
What are the key properties of 4-[(carbamoylamino)methyl]-N-[(2R)-2-hydroxypropyl]benzamide?
4-[(carbamoylamino)methyl]-N-[(2R)-2-hydroxypropyl]benzamide has a molecular weight of 251.29 g/mol, XLogP of -0.03, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-[(2R)-2-hydroxypropyl]benzamide is sourced from PubChem (CID 83031405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).