N-[2-(3-amino-3-oxopropoxy)phenyl]-4-(methylamino)butanamide;hydrochloride

C14H22ClN3O3 — CID 119733604

IUPACN-[2-(3-amino-3-oxopropoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccccc1OCCC(N)=O.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-16-9-4-7-14(19)17-11-5-2-3-6-12(11)20-10-8-13(15)18;/h2-3,5-6,16H,4,7-10H2,1H3,(H2,15,18)(H,17,19);1H
InChIKeyXOEVQEHCQMLGNW-UHFFFAOYSA-N
MW315.80 g/mol
LogP1.30
Rot. Bonds9

About N-[2-(3-amino-3-oxopropoxy)phenyl]-4-(methylamino)butanamide;hydrochloride

N-[2-(3-amino-3-oxopropoxy)phenyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119733604) has the molecular formula C14H22ClN3O3 and a molecular weight of 315.80 g/mol. Its IUPAC name is N-[2-(3-amino-3-oxopropoxy)phenyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-amino-3-oxopropoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119733604
Molecular FormulaC14H22ClN3O3
Molecular Weight315.80 g/mol
Exact Mass315.13
IUPAC NameN-[2-(3-amino-3-oxopropoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccccc1OCCC(N)=O.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-16-9-4-7-14(19)17-11-5-2-3-6-12(11)20-10-8-13(15)18;/h2-3,5-6,16H,4,7-10H2,1H3,(H2,15,18)(H,17,19);1H
InChIKeyXOEVQEHCQMLGNW-UHFFFAOYSA-N
XLogP1.30
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 51.30
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]-3-(ethylamino)propanamide
CID 62831978
5-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]hexanamide
CID 82849580
4-(methylamino)-N-[2-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119714822
N-[2-(cyclopropylmethoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119799491
N-[2-(2,2-difluoroethoxy)phenyl]-4-(methylamino)butanamide
CID 119814465
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride
CID 119714850
2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119673012
N-(2-butoxyphenyl)tetradecanamide
CID 54789601
2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-2-ethylbutanamide
CID 79813998
N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-(methylamino)butanamide;hydrochloride
CID 119773448
4-(methylamino)-N-[2-(1-phenylethoxy)phenyl]butanamide;hydrochloride
CID 119792496

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-3-oxopropoxy)phenyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[2-(3-amino-3-oxopropoxy)phenyl]-4-(methylamino)butanamide;hydrochloride (CID 119733604) is N-[2-(3-amino-3-oxopropoxy)phenyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[2-(3-amino-3-oxopropoxy)phenyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[2-(3-amino-3-oxopropoxy)phenyl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)Nc1ccccc1OCCC(N)=O.Cl.
What is the InChIKey of N-[2-(3-amino-3-oxopropoxy)phenyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is XOEVQEHCQMLGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3.ClH/c1-16-9-4-7-14(19)17-11-5-2-3-6-12(11)20-10-8-13(15)18;/h2-3,5-6,16H,4,7-10H2,1H3,(H2,15,18)(H,17,19);1H.
What are the key properties of N-[2-(3-amino-3-oxopropoxy)phenyl]-4-(methylamino)butanamide;hydrochloride?
N-[2-(3-amino-3-oxopropoxy)phenyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of 1.30, 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]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119733604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).