N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide

C14H21N3O2 — CID 47200674

IUPACN-ethyl-3-(2-methylpropylcarbamoylamino)benzamide
SMILESCCNC(=O)c1cccc(NC(=O)NCC(C)C)c1
InChIInChI=1S/C14H21N3O2/c1-4-15-13(18)11-6-5-7-12(8-11)17-14(19)16-9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,18)(H2,16,17,19)
InChIKeyPIVCUGCAICCDPB-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.21
Rot. Bonds5

About N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide

N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide (PubChem CID 47200674) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-3-(2-methylpropylcarbamoylamino)benzamide
PubChem CID47200674
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-ethyl-3-(2-methylpropylcarbamoylamino)benzamide
SMILESCCNC(=O)c1cccc(NC(=O)NCC(C)C)c1
InChIInChI=1S/C14H21N3O2/c1-4-15-13(18)11-6-5-7-12(8-11)17-14(19)16-9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,18)(H2,16,17,19)
InChIKeyPIVCUGCAICCDPB-UHFFFAOYSA-N
XLogP2.21
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(2-methylpropylamino)benzamide
CID 43680721
N-ethyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47238365
methyl 3-(2-methylpropylcarbamoylamino)benzoate
CID 39732859
ethyl 3-(2-methylpropylcarbamoylamino)benzoate
CID 47221039
3-acetamido-N-ethylbenzamide
CID 17230670
3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide
CID 47298640
N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55814774
N-ethyl-3-(3-methoxypropylcarbamoylamino)benzamide
CID 47200679
3-[[(2R)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N-ethylbenzamide
CID 95239252
N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47264617
3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051379
3-(cyclopropanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 40603945

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide?
The IUPAC name of N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide (CID 47200674) is N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide.
What is the SMILES notation for N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide?
The canonical SMILES for N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide is CCNC(=O)c1cccc(NC(=O)NCC(C)C)c1.
What is the InChIKey of N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide?
The InChIKey is PIVCUGCAICCDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-15-13(18)11-6-5-7-12(8-11)17-14(19)16-9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,18)(H2,16,17,19).
What are the key properties of N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide?
N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide has a molecular weight of 263.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide is sourced from PubChem (CID 47200674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).