N-[4-[1-(methylamino)ethyl]phenyl]-2-propylpentanamide

C17H28N2O — CID 82985299

IUPACN-[4-[1-(methylamino)ethyl]phenyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1ccc(C(C)NC)cc1
InChIInChI=1S/C17H28N2O/c1-5-7-15(8-6-2)17(20)19-16-11-9-14(10-12-16)13(3)18-4/h9-13,15,18H,5-8H2,1-4H3,(H,19,20)
InChIKeyNMKVNALZBOWLOB-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.12
Rot. Bonds8

About N-[4-[1-(methylamino)ethyl]phenyl]-2-propylpentanamide

N-[4-[1-(methylamino)ethyl]phenyl]-2-propylpentanamide (PubChem CID 82985299) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[4-[1-(methylamino)ethyl]phenyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[4-[1-(methylamino)ethyl]phenyl]-2-propylpentanamide
PubChem CID82985299
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[4-[1-(methylamino)ethyl]phenyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1ccc(C(C)NC)cc1
InChIInChI=1S/C17H28N2O/c1-5-7-15(8-6-2)17(20)19-16-11-9-14(10-12-16)13(3)18-4/h9-13,15,18H,5-8H2,1-4H3,(H,19,20)
InChIKeyNMKVNALZBOWLOB-UHFFFAOYSA-N
XLogP4.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
3-[4-[1-(methylamino)ethyl]phenyl]-1,1-dipropylurea
CID 61339464
1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341996
N-[4-[1-(methylamino)ethyl]phenyl]nonanamide
CID 65449865
2-ethyl-N-[4-[1-(ethylamino)ethyl]phenyl]hexanamide
CID 43507662
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pentanamide
CID 43507752
2-methoxy-N-[4-[1-(methylamino)ethyl]phenyl]acetamide
CID 61279184
N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-propylpentanamide
CID 11738326
N-ethyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide
CID 61341674
(2S)-N-(4-acetamidophenyl)-2-methylpentanamide
CID 670216
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
2-(aminomethyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide
CID 65224864

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(methylamino)ethyl]phenyl]-2-propylpentanamide?
The IUPAC name of N-[4-[1-(methylamino)ethyl]phenyl]-2-propylpentanamide (CID 82985299) is N-[4-[1-(methylamino)ethyl]phenyl]-2-propylpentanamide.
What is the SMILES notation for N-[4-[1-(methylamino)ethyl]phenyl]-2-propylpentanamide?
The canonical SMILES for N-[4-[1-(methylamino)ethyl]phenyl]-2-propylpentanamide is CCCC(CCC)C(=O)Nc1ccc(C(C)NC)cc1.
What is the InChIKey of N-[4-[1-(methylamino)ethyl]phenyl]-2-propylpentanamide?
The InChIKey is NMKVNALZBOWLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-7-15(8-6-2)17(20)19-16-11-9-14(10-12-16)13(3)18-4/h9-13,15,18H,5-8H2,1-4H3,(H,19,20).
What are the key properties of N-[4-[1-(methylamino)ethyl]phenyl]-2-propylpentanamide?
N-[4-[1-(methylamino)ethyl]phenyl]-2-propylpentanamide has a molecular weight of 276.42 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(methylamino)ethyl]phenyl]-2-propylpentanamide is sourced from PubChem (CID 82985299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).