4-(carbamoylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide

C13H17N3O3 — CID 80708473

IUPAC4-(carbamoylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
SMILESNC(=O)Nc1ccc(C(=O)NCC2(CO)CC2)cc1
InChIInChI=1S/C13H17N3O3/c14-12(19)16-10-3-1-9(2-4-10)11(18)15-7-13(8-17)5-6-13/h1-4,17H,5-8H2,(H,15,18)(H3,14,16,19)
InChIKeyBUJZIVXPHLGDTA-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.68
Rot. Bonds5

About 4-(carbamoylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide

4-(carbamoylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide (PubChem CID 80708473) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
PubChem CID80708473
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-(carbamoylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
SMILESNC(=O)Nc1ccc(C(=O)NCC2(CO)CC2)cc1
InChIInChI=1S/C13H17N3O3/c14-12(19)16-10-3-1-9(2-4-10)11(18)15-7-13(8-17)5-6-13/h1-4,17H,5-8H2,(H,15,18)(H3,14,16,19)
InChIKeyBUJZIVXPHLGDTA-UHFFFAOYSA-N
XLogP0.68
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 113313378
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(methanesulfonamido)benzamide
CID 80717767
4-(carbamoylamino)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]benzamide
CID 60571999
4-benzamido-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111331437
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethylsulfanyl)benzamide
CID 80712294
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzamide
CID 71796851
4-butyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 80717510
3-hydroxy-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-iodobenzamide
CID 113434894
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 80716453
6-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]naphthalene-2-carboxamide
CID 115283360
4-(carbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 47137889
4-(carbamoylamino)-N-(2-methylpropyl)benzamide
CID 47106060

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide?
The IUPAC name of 4-(carbamoylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide (CID 80708473) is 4-(carbamoylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for 4-(carbamoylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide?
The canonical SMILES for 4-(carbamoylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide is NC(=O)Nc1ccc(C(=O)NCC2(CO)CC2)cc1.
What is the InChIKey of 4-(carbamoylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide?
The InChIKey is BUJZIVXPHLGDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-12(19)16-10-3-1-9(2-4-10)11(18)15-7-13(8-17)5-6-13/h1-4,17H,5-8H2,(H,15,18)(H3,14,16,19).
What are the key properties of 4-(carbamoylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide?
4-(carbamoylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide has a molecular weight of 263.30 g/mol, XLogP of 0.68, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 80708473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).