4-(carbamoylamino)-N-(1-cyclopropylethyl)benzamide

C13H17N3O2 — CID 47138042

IUPAC4-(carbamoylamino)-N-(1-cyclopropylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NC(N)=O)cc1)C1CC1
InChIInChI=1S/C13H17N3O2/c1-8(9-2-3-9)15-12(17)10-4-6-11(7-5-10)16-13(14)18/h4-9H,2-3H2,1H3,(H,15,17)(H3,14,16,18)
InChIKeyCZZFJOAXMQBPCJ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.71
Rot. Bonds4

About 4-(carbamoylamino)-N-(1-cyclopropylethyl)benzamide

4-(carbamoylamino)-N-(1-cyclopropylethyl)benzamide (PubChem CID 47138042) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-(1-cyclopropylethyl)benzamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-(1-cyclopropylethyl)benzamide
PubChem CID47138042
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-(carbamoylamino)-N-(1-cyclopropylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NC(N)=O)cc1)C1CC1
InChIInChI=1S/C13H17N3O2/c1-8(9-2-3-9)15-12(17)10-4-6-11(7-5-10)16-13(14)18/h4-9H,2-3H2,1H3,(H,15,17)(H3,14,16,18)
InChIKeyCZZFJOAXMQBPCJ-UHFFFAOYSA-N
XLogP1.71
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzamido-N-(1-cyclopropylethyl)benzamide
CID 134006926
N-[(1R)-1-cyclopropylethyl]-4-(prop-2-enoylamino)benzamide
CID 166405776
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(carbamoylamino)benzamide
CID 78789513
4-(benzenesulfonamido)-N-(1-cyclopropylethyl)benzamide
CID 84975243
4-amino-N-(1-cyclopentylethyl)benzamide;hydrochloride
CID 119782446
N-(1-cyclopropylethyl)-1H-pyrrole-3-carboxamide
CID 131176905
N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide
CID 132596984
5-N-[(1S)-1-cyclopropylethyl]pyridine-2,5-dicarboxamide
CID 164519355
3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide
CID 43533090
3,5-diamino-N-(1-cyclopropylethyl)benzamide
CID 61094229
3-amino-4-chloro-N-(1-cyclopropylethyl)benzamide
CID 43533105
4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide
CID 81392809

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-(1-cyclopropylethyl)benzamide?
The IUPAC name of 4-(carbamoylamino)-N-(1-cyclopropylethyl)benzamide (CID 47138042) is 4-(carbamoylamino)-N-(1-cyclopropylethyl)benzamide.
What is the SMILES notation for 4-(carbamoylamino)-N-(1-cyclopropylethyl)benzamide?
The canonical SMILES for 4-(carbamoylamino)-N-(1-cyclopropylethyl)benzamide is CC(NC(=O)c1ccc(NC(N)=O)cc1)C1CC1.
What is the InChIKey of 4-(carbamoylamino)-N-(1-cyclopropylethyl)benzamide?
The InChIKey is CZZFJOAXMQBPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8(9-2-3-9)15-12(17)10-4-6-11(7-5-10)16-13(14)18/h4-9H,2-3H2,1H3,(H,15,17)(H3,14,16,18).
What are the key properties of 4-(carbamoylamino)-N-(1-cyclopropylethyl)benzamide?
4-(carbamoylamino)-N-(1-cyclopropylethyl)benzamide has a molecular weight of 247.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-(1-cyclopropylethyl)benzamide is sourced from PubChem (CID 47138042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).