2-amino-N-[2-(diethylaminomethyl)phenyl]-3-methylpentanamide

C17H29N3O — CID 43712488

IUPAC2-amino-N-[2-(diethylaminomethyl)phenyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccccc1CN(CC)CC
InChIInChI=1S/C17H29N3O/c1-5-13(4)16(18)17(21)19-15-11-9-8-10-14(15)12-20(6-2)7-3/h8-11,13,16H,5-7,12,18H2,1-4H3,(H,19,21)
InChIKeySHLHJEPNBRMEDI-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.84
Rot. Bonds8

About 2-amino-N-[2-(diethylaminomethyl)phenyl]-3-methylpentanamide

2-amino-N-[2-(diethylaminomethyl)phenyl]-3-methylpentanamide (PubChem CID 43712488) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-amino-N-[2-(diethylaminomethyl)phenyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(diethylaminomethyl)phenyl]-3-methylpentanamide
PubChem CID43712488
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-amino-N-[2-(diethylaminomethyl)phenyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccccc1CN(CC)CC
InChIInChI=1S/C17H29N3O/c1-5-13(4)16(18)17(21)19-15-11-9-8-10-14(15)12-20(6-2)7-3/h8-11,13,16H,5-7,12,18H2,1-4H3,(H,19,21)
InChIKeySHLHJEPNBRMEDI-UHFFFAOYSA-N
XLogP2.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[2-(diethylaminomethyl)phenyl]-3-methylpentanamide 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

2-amino-N-(2-ethylphenyl)-3-methylpentanamide
CID 24700876
N-[2-(diethylaminomethyl)phenyl]-2-methoxypropanamide
CID 112685894
2-amino-N-(2-benzylphenyl)-3-methylpentanamide
CID 24700723
3-[2-(diethylaminomethyl)anilino]-2-methyl-3-oxopropanoic acid
CID 114898009
2-bromo-N-[2-(diethylaminomethyl)phenyl]-3-methylbutanamide
CID 43701125
ethyl N-[2-(diethylaminomethyl)phenyl]carbamate
CID 61215408
2-amino-N-(2-fluorophenyl)-3-methylpentanamide
CID 24698442
(2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61179643
2-amino-N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide
CID 119752267
(2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide
CID 61174256
(2S)-2-amino-3-methyl-N-[2-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 52986036
N-[2-(diethylaminomethyl)phenyl]-2-methoxyacetamide
CID 60794575

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(diethylaminomethyl)phenyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[2-(diethylaminomethyl)phenyl]-3-methylpentanamide (CID 43712488) is 2-amino-N-[2-(diethylaminomethyl)phenyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[2-(diethylaminomethyl)phenyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[2-(diethylaminomethyl)phenyl]-3-methylpentanamide is CCC(C)C(N)C(=O)Nc1ccccc1CN(CC)CC.
What is the InChIKey of 2-amino-N-[2-(diethylaminomethyl)phenyl]-3-methylpentanamide?
The InChIKey is SHLHJEPNBRMEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-13(4)16(18)17(21)19-15-11-9-8-10-14(15)12-20(6-2)7-3/h8-11,13,16H,5-7,12,18H2,1-4H3,(H,19,21).
What are the key properties of 2-amino-N-[2-(diethylaminomethyl)phenyl]-3-methylpentanamide?
2-amino-N-[2-(diethylaminomethyl)phenyl]-3-methylpentanamide has a molecular weight of 291.44 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(diethylaminomethyl)phenyl]-3-methylpentanamide is sourced from PubChem (CID 43712488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).