(2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide

C17H28N2O — CID 11482780

IUPAC(2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCNCCCNC(=O)[C@H](C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-13(2)12-15-6-8-16(9-7-15)14(3)17(20)19-11-5-10-18-4/h6-9,13-14,18H,5,10-12H2,1-4H3,(H,19,20)/t14-/m1/s1
InChIKeyBWDZMZDRONBZBY-CQSZACIVSA-N
MW276.42 g/mol
LogP2.71
Rot. Bonds8

About (2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide

(2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 11482780) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID11482780
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCNCCCNC(=O)[C@H](C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-13(2)12-15-6-8-16(9-7-15)14(3)17(20)19-11-5-10-18-4/h6-9,13-14,18H,5,10-12H2,1-4H3,(H,19,20)/t14-/m1/s1
InChIKeyBWDZMZDRONBZBY-CQSZACIVSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]azanium
CID 10274425
triethyl-[3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]propyl]azanium
CID 22218584
3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]propanoic acid
CID 85049753
(2R)-N-[3-(diaminomethylideneamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 121452328
N-(3,3-dimethylbutyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 118460057
2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid
CID 101407950
(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen
CID 166540473
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide
CID 1228331
(2R)-N-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 10140177
2-[carboxymethyl-[8-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]octyl]amino]acetic acid
CID 170115875
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
N-[2-(2-hydroxyethoxy)ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 85068622

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of (2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 11482780) is (2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for (2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for (2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide is CNCCCNC(=O)[C@H](C)c1ccc(CC(C)C)cc1.
What is the InChIKey of (2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is BWDZMZDRONBZBY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)12-15-6-8-16(9-7-15)14(3)17(20)19-11-5-10-18-4/h6-9,13-14,18H,5,10-12H2,1-4H3,(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
(2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 276.42 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 11482780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).