N-[2-(3-amino-3-oxopropoxy)phenyl]-3-(ethylamino)propanamide

C14H21N3O3 — CID 62831978

IUPACN-[2-(3-amino-3-oxopropoxy)phenyl]-3-(ethylamino)propanamide
SMILESCCNCCC(=O)Nc1ccccc1OCCC(N)=O
InChIInChI=1S/C14H21N3O3/c1-2-16-9-7-14(19)17-11-5-3-4-6-12(11)20-10-8-13(15)18/h3-6,16H,2,7-10H2,1H3,(H2,15,18)(H,17,19)
InChIKeyDFUKSNPZEAGCKF-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.88
Rot. Bonds9

About N-[2-(3-amino-3-oxopropoxy)phenyl]-3-(ethylamino)propanamide

N-[2-(3-amino-3-oxopropoxy)phenyl]-3-(ethylamino)propanamide (PubChem CID 62831978) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[2-(3-amino-3-oxopropoxy)phenyl]-3-(ethylamino)propanamide.

Molecular Properties

Compound NameN-[2-(3-amino-3-oxopropoxy)phenyl]-3-(ethylamino)propanamide
PubChem CID62831978
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[2-(3-amino-3-oxopropoxy)phenyl]-3-(ethylamino)propanamide
SMILESCCNCCC(=O)Nc1ccccc1OCCC(N)=O
InChIInChI=1S/C14H21N3O3/c1-2-16-9-7-14(19)17-11-5-3-4-6-12(11)20-10-8-13(15)18/h3-6,16H,2,7-10H2,1H3,(H2,15,18)(H,17,19)
InChIKeyDFUKSNPZEAGCKF-UHFFFAOYSA-N
XLogP0.88
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-amino-3-oxopropoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119733604
5-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]hexanamide
CID 82849580
3-[2-(ethylaminomethyl)phenoxy]propanamide
CID 43277204
2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-2-ethylbutanamide
CID 79813998
3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 62832471
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide
CID 47239947
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
3-(2-ethoxyanilino)propanamide
CID 43131857
(2S,3S)-2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylpentanamide
CID 61178634
3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride
CID 119268305
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide
CID 103028884
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014367

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-3-oxopropoxy)phenyl]-3-(ethylamino)propanamide?
The IUPAC name of N-[2-(3-amino-3-oxopropoxy)phenyl]-3-(ethylamino)propanamide (CID 62831978) is N-[2-(3-amino-3-oxopropoxy)phenyl]-3-(ethylamino)propanamide.
What is the SMILES notation for N-[2-(3-amino-3-oxopropoxy)phenyl]-3-(ethylamino)propanamide?
The canonical SMILES for N-[2-(3-amino-3-oxopropoxy)phenyl]-3-(ethylamino)propanamide is CCNCCC(=O)Nc1ccccc1OCCC(N)=O.
What is the InChIKey of N-[2-(3-amino-3-oxopropoxy)phenyl]-3-(ethylamino)propanamide?
The InChIKey is DFUKSNPZEAGCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-16-9-7-14(19)17-11-5-3-4-6-12(11)20-10-8-13(15)18/h3-6,16H,2,7-10H2,1H3,(H2,15,18)(H,17,19).
What are the key properties of N-[2-(3-amino-3-oxopropoxy)phenyl]-3-(ethylamino)propanamide?
N-[2-(3-amino-3-oxopropoxy)phenyl]-3-(ethylamino)propanamide has a molecular weight of 279.34 g/mol, XLogP of 0.88, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-3-oxopropoxy)phenyl]-3-(ethylamino)propanamide is sourced from PubChem (CID 62831978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).