3-amino-N-[2-ethyl-5-(phenylcarbamoylamino)phenyl]propanamide

C18H22N4O2 — CID 82034549

IUPAC3-amino-N-[2-ethyl-5-(phenylcarbamoylamino)phenyl]propanamide
SMILESCCc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)CCN
InChIInChI=1S/C18H22N4O2/c1-2-13-8-9-15(12-16(13)22-17(23)10-11-19)21-18(24)20-14-6-4-3-5-7-14/h3-9,12H,2,10-11,19H2,1H3,(H,22,23)(H2,20,21,24)
InChIKeyZOACGHMNHIPMLP-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.18
Rot. Bonds6

About 3-amino-N-[2-ethyl-5-(phenylcarbamoylamino)phenyl]propanamide

3-amino-N-[2-ethyl-5-(phenylcarbamoylamino)phenyl]propanamide (PubChem CID 82034549) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-amino-N-[2-ethyl-5-(phenylcarbamoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-ethyl-5-(phenylcarbamoylamino)phenyl]propanamide
PubChem CID82034549
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-amino-N-[2-ethyl-5-(phenylcarbamoylamino)phenyl]propanamide
SMILESCCc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)CCN
InChIInChI=1S/C18H22N4O2/c1-2-13-8-9-15(12-16(13)22-17(23)10-11-19)21-18(24)20-14-6-4-3-5-7-14/h3-9,12H,2,10-11,19H2,1H3,(H,22,23)(H2,20,21,24)
InChIKeyZOACGHMNHIPMLP-UHFFFAOYSA-N
XLogP3.18
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-ethyl-5-[(2-phenoxyacetyl)amino]phenyl]propanamide
CID 82034547
N-[3-(3-aminopropanoylamino)-4-ethylphenyl]-2,2-dimethylpropanamide
CID 82034526
N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]pentanamide
CID 39185216
N-(5-acetamido-2-ethylphenyl)-2-aminoacetamide
CID 39185204
N-[3-(3-aminopropanoylamino)-4-ethylphenyl]oxolane-2-carboxamide
CID 82034531
N-[3-(phenylcarbamoylamino)phenyl]pentanamide
CID 51326660
N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
CID 82034391
3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
CID 43701444
N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride
CID 119279495
1-(3-aminophenyl)-3-(2-ethylphenyl)urea
CID 30050716
3-amino-N-(4-ethyl-3-sulfamoylphenyl)propanamide;hydrochloride
CID 119307317
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide
CID 82034485

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-ethyl-5-(phenylcarbamoylamino)phenyl]propanamide?
The IUPAC name of 3-amino-N-[2-ethyl-5-(phenylcarbamoylamino)phenyl]propanamide (CID 82034549) is 3-amino-N-[2-ethyl-5-(phenylcarbamoylamino)phenyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-ethyl-5-(phenylcarbamoylamino)phenyl]propanamide?
The canonical SMILES for 3-amino-N-[2-ethyl-5-(phenylcarbamoylamino)phenyl]propanamide is CCc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)CCN.
What is the InChIKey of 3-amino-N-[2-ethyl-5-(phenylcarbamoylamino)phenyl]propanamide?
The InChIKey is ZOACGHMNHIPMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-13-8-9-15(12-16(13)22-17(23)10-11-19)21-18(24)20-14-6-4-3-5-7-14/h3-9,12H,2,10-11,19H2,1H3,(H,22,23)(H2,20,21,24).
What are the key properties of 3-amino-N-[2-ethyl-5-(phenylcarbamoylamino)phenyl]propanamide?
3-amino-N-[2-ethyl-5-(phenylcarbamoylamino)phenyl]propanamide has a molecular weight of 326.40 g/mol, XLogP of 3.18, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-ethyl-5-(phenylcarbamoylamino)phenyl]propanamide is sourced from PubChem (CID 82034549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).