N-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide

C16H26N2O3 — CID 63684342

IUPACN-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide
SMILESCCCOCCOCCCC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C16H26N2O3/c1-2-8-20-10-11-21-9-4-7-16(19)18-15-6-3-5-14(12-15)13-17/h3,5-6,12H,2,4,7-11,13,17H2,1H3,(H,18,19)
InChIKeyMEDQWJCTPPXIEU-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.31
Rot. Bonds11

About N-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide

N-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide (PubChem CID 63684342) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide
PubChem CID63684342
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide
SMILESCCCOCCOCCCC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C16H26N2O3/c1-2-8-20-10-11-21-9-4-7-16(19)18-15-6-3-5-14(12-15)13-17/h3,5-6,12H,2,4,7-11,13,17H2,1H3,(H,18,19)
InChIKeyMEDQWJCTPPXIEU-UHFFFAOYSA-N
XLogP2.31
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-carbamothioylphenyl)-4-propoxybutanamide
CID 43248092
N-[3-(aminomethyl)phenyl]-4-propylsulfonylbutanamide
CID 64698230
propyl N-[3-(aminomethyl)phenyl]carbamate
CID 43309364
N-[4-(aminomethyl)phenyl]-3-(2-butoxyethoxy)propanamide
CID 28996025
N-(3-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63686148
4-ethoxy-N-[3-(propylaminomethyl)phenyl]butanamide
CID 106910729
4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride
CID 119289103
N-[3-(aminomethyl)phenyl]-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265468
4-[3-(aminomethyl)anilino]-4-oxobutanoic acid
CID 110481799
N-[3-(aminomethyl)phenyl]-4-(oxolan-3-yloxy)butanamide
CID 63557818
N-[3-(aminomethyl)phenyl]pent-4-enamide
CID 63254423
N-[3-(aminomethyl)phenyl]-3-methylsulfanylpropanamide
CID 63254387

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide (CID 63684342) is N-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide is CCCOCCOCCCC(=O)Nc1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide?
The InChIKey is MEDQWJCTPPXIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-2-8-20-10-11-21-9-4-7-16(19)18-15-6-3-5-14(12-15)13-17/h3,5-6,12H,2,4,7-11,13,17H2,1H3,(H,18,19).
What are the key properties of N-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide?
N-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide has a molecular weight of 294.39 g/mol, XLogP of 2.31, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide is sourced from PubChem (CID 63684342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).