4-[(carbamoylamino)methyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide

C12H17N3O3 — CID 79027939

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

About 4-[(carbamoylamino)methyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide

4-[(carbamoylamino)methyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide (PubChem CID 79027939) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide
PubChem CID79027939
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4-[(carbamoylamino)methyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide
SMILESC[C@H](CO)NC(=O)c1ccc(CNC(N)=O)cc1
InChIInChI=1S/C12H17N3O3/c1-8(7-16)15-11(17)10-4-2-9(3-5-10)6-14-12(13)18/h2-5,8,16H,6-7H2,1H3,(H,15,17)(H3,13,14,18)/t8-/m1/s1
InChIKeyQKDXSUGSIYYPEU-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

methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]propanoate
CID 60669043
4-(chloromethyl)-N-(1-hydroxypropan-2-yl)benzamide
CID 61251276
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
4-[(carbamoylamino)methyl]-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031405
4-[(carbamoylamino)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 47010072
4-[(carbamoylamino)methyl]-N-[1-(4-chlorophenyl)ethyl]benzamide
CID 78775923
4-(benzylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 95765057
4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 36557221
4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide
CID 35018877
methyl 4-(1-hydroxypropan-2-ylcarbamoyl)benzoate
CID 78857241
4-[(carbamoylamino)methyl]-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 78772937
N-(1-aminohexan-2-yl)-4-[(carbamoylamino)methyl]benzamide
CID 119665299

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide (CID 79027939) is 4-[(carbamoylamino)methyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide is C[C@H](CO)NC(=O)c1ccc(CNC(N)=O)cc1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide?
The InChIKey is QKDXSUGSIYYPEU-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8(7-16)15-11(17)10-4-2-9(3-5-10)6-14-12(13)18/h2-5,8,16H,6-7H2,1H3,(H,15,17)(H3,13,14,18)/t8-/m1/s1.
What are the key properties of 4-[(carbamoylamino)methyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide?
4-[(carbamoylamino)methyl]-N-[(2R)-1-hydroxypropan-2-yl]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)-1-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 79027939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).