N-(4-acetamidophenyl)-3-aminopropanamide

C11H15N3O2 — CID 22692055

IUPACN-(4-acetamidophenyl)-3-aminopropanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCN)cc1
InChIInChI=1S/C11H15N3O2/c1-8(15)13-9-2-4-10(5-3-9)14-11(16)6-7-12/h2-5H,6-7,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyVVVQJUWRFRIAPX-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.93
Rot. Bonds4

About N-(4-acetamidophenyl)-3-aminopropanamide

N-(4-acetamidophenyl)-3-aminopropanamide (PubChem CID 22692055) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-aminopropanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-aminopropanamide
PubChem CID22692055
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-(4-acetamidophenyl)-3-aminopropanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCN)cc1
InChIInChI=1S/C11H15N3O2/c1-8(15)13-9-2-4-10(5-3-9)14-11(16)6-7-12/h2-5H,6-7,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyVVVQJUWRFRIAPX-UHFFFAOYSA-N
XLogP0.93
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(4-methylphenyl)propanamide;hydrochloride
CID 15558174
3-amino-N-(4-hydroxyphenyl)propanamide
CID 43710647
N-[4-(3-aminopropanoyl)phenyl]acetamide
CID 82341482
N-(4-acetamido-3-methylphenyl)-3-aminopropanamide
CID 43698824
3-amino-N-(4-phenylphenyl)propanamide;hydrochloride
CID 44769625
N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride
CID 119279495
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
3-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 119279237
N-(4-acetamidophenyl)hexanamide
CID 4953736
N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide
CID 79463401
N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide
CID 119289487
4-(3-aminopropanoylamino)-N-propan-2-ylbenzamide;hydrochloride
CID 119298478

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-aminopropanamide?
The IUPAC name of N-(4-acetamidophenyl)-3-aminopropanamide (CID 22692055) is N-(4-acetamidophenyl)-3-aminopropanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-aminopropanamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-aminopropanamide is CC(=O)Nc1ccc(NC(=O)CCN)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-aminopropanamide?
The InChIKey is VVVQJUWRFRIAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8(15)13-9-2-4-10(5-3-9)14-11(16)6-7-12/h2-5H,6-7,12H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-(4-acetamidophenyl)-3-aminopropanamide?
N-(4-acetamidophenyl)-3-aminopropanamide has a molecular weight of 221.26 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-aminopropanamide is sourced from PubChem (CID 22692055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).