N-[4-[(2-aminoacetyl)amino]phenyl]propanamide

C11H15N3O2 — CID 43708679

IUPACN-[4-[(2-aminoacetyl)amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CN)cc1
InChIInChI=1S/C11H15N3O2/c1-2-10(15)13-8-3-5-9(6-4-8)14-11(16)7-12/h3-6H,2,7,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyJZEKLSUUAIYKAW-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.93
Rot. Bonds4

About N-[4-[(2-aminoacetyl)amino]phenyl]propanamide

N-[4-[(2-aminoacetyl)amino]phenyl]propanamide (PubChem CID 43708679) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[4-[(2-aminoacetyl)amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(2-aminoacetyl)amino]phenyl]propanamide
PubChem CID43708679
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-[4-[(2-aminoacetyl)amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CN)cc1
InChIInChI=1S/C11H15N3O2/c1-2-10(15)13-8-3-5-9(6-4-8)14-11(16)7-12/h3-6H,2,7,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyJZEKLSUUAIYKAW-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

2-amino-N-(4-propylphenyl)acetamide
CID 43216495
2-amino-N-[4-(methylcarbamoylamino)phenyl]acetamide
CID 43710915
4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride
CID 119296184
2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 43708154
2-amino-N-[4-(hydroxymethyl)phenyl]acetamide;ethane
CID 144997622
2-amino-N-(4-butan-2-ylphenyl)acetamide
CID 43218233
N-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]propanamide
CID 39184528
2-amino-2-ethyl-N-[4-(propanoylamino)phenyl]butanamide
CID 79810229
2-amino-N-[4-(ethoxymethyl)phenyl]acetamide
CID 119340719
2-amino-N-(4-phenylphenyl)acetamide
CID 43218250
N-[4-(propan-2-ylamino)phenyl]propanamide
CID 43720685
(2R)-2-amino-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
CID 119296177

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-aminoacetyl)amino]phenyl]propanamide?
The IUPAC name of N-[4-[(2-aminoacetyl)amino]phenyl]propanamide (CID 43708679) is N-[4-[(2-aminoacetyl)amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[(2-aminoacetyl)amino]phenyl]propanamide?
The canonical SMILES for N-[4-[(2-aminoacetyl)amino]phenyl]propanamide is CCC(=O)Nc1ccc(NC(=O)CN)cc1.
What is the InChIKey of N-[4-[(2-aminoacetyl)amino]phenyl]propanamide?
The InChIKey is JZEKLSUUAIYKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-10(15)13-8-3-5-9(6-4-8)14-11(16)7-12/h3-6H,2,7,12H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-[4-[(2-aminoacetyl)amino]phenyl]propanamide?
N-[4-[(2-aminoacetyl)amino]phenyl]propanamide 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-[(2-aminoacetyl)amino]phenyl]propanamide is sourced from PubChem (CID 43708679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).