N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

C14H21N3O2 — CID 9207204

IUPACN-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
SMILESCCNC(=O)c1ccc(CNC(=O)NC(C)C)cc1
InChIInChI=1S/C14H21N3O2/c1-4-15-13(18)12-7-5-11(6-8-12)9-16-14(19)17-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,18)(H2,16,17,19)
InChIKeyAYVYPIBSJLRMQI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.64
Rot. Bonds5

About N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide (PubChem CID 9207204) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
PubChem CID9207204
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
SMILESCCNC(=O)c1ccc(CNC(=O)NC(C)C)cc1
InChIInChI=1S/C14H21N3O2/c1-4-15-13(18)12-7-5-11(6-8-12)9-16-14(19)17-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,18)(H2,16,17,19)
InChIKeyAYVYPIBSJLRMQI-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47116390
N-ethyl-4-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide
CID 119041396
1-[[4-(benzamidocarbamoyl)phenyl]methyl]-3-propan-2-ylurea
CID 40727881
N-methoxy-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 33101638
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9227810
4-(acetamidomethyl)-N-ethylbenzamide
CID 20648409
4-[(propan-2-ylcarbamoylamino)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 9374254
N-[4-[(2S)-butan-2-yl]phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9270671
N-(3,5-dichlorophenyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9206376
1-[[4-[(cyclopropanecarbonylamino)carbamoyl]phenyl]methyl]-3-propan-2-ylurea
CID 9274115
N-[2,6-di(propan-2-yl)phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9453639
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9369212

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The IUPAC name of N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide (CID 9207204) is N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide.
What is the SMILES notation for N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The canonical SMILES for N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide is CCNC(=O)c1ccc(CNC(=O)NC(C)C)cc1.
What is the InChIKey of N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The InChIKey is AYVYPIBSJLRMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-15-13(18)12-7-5-11(6-8-12)9-16-14(19)17-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,18)(H2,16,17,19).
What are the key properties of N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide is sourced from PubChem (CID 9207204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).