2-(methylamino)-N-[6-(methylamino)hexyl]-3-phenylpropanamide

C17H29N3O — CID 172626022

IUPAC2-(methylamino)-N-[6-(methylamino)hexyl]-3-phenylpropanamide
SMILESCNCCCCCCNC(=O)C(Cc1ccccc1)NC
InChIInChI=1S/C17H29N3O/c1-18-12-8-3-4-9-13-20-17(21)16(19-2)14-15-10-6-5-7-11-15/h5-7,10-11,16,18-19H,3-4,8-9,12-14H2,1-2H3,(H,20,21)
InChIKeyINYQJZRGUSRNAC-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.71
Rot. Bonds11

About 2-(methylamino)-N-[6-(methylamino)hexyl]-3-phenylpropanamide

2-(methylamino)-N-[6-(methylamino)hexyl]-3-phenylpropanamide (PubChem CID 172626022) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(methylamino)-N-[6-(methylamino)hexyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-(methylamino)-N-[6-(methylamino)hexyl]-3-phenylpropanamide
PubChem CID172626022
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-(methylamino)-N-[6-(methylamino)hexyl]-3-phenylpropanamide
SMILESCNCCCCCCNC(=O)C(Cc1ccccc1)NC
InChIInChI=1S/C17H29N3O/c1-18-12-8-3-4-9-13-20-17(21)16(19-2)14-15-10-6-5-7-11-15/h5-7,10-11,16,18-19H,3-4,8-9,12-14H2,1-2H3,(H,20,21)
InChIKeyINYQJZRGUSRNAC-UHFFFAOYSA-N
XLogP1.71
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(methylamino)-N-[2-(methylamino)ethyl]-3-phenylpropanamide
CID 100959272
(2R)-N-ethyl-2-(methylamino)-3-phenylpropanamide
CID 10608375
(2S)-2-acetamido-N-hexadecyl-3-phenylpropanamide
CID 101010140
(2S)-2-(dodecylcarbamoylamino)-N-[6-[[(2S)-2-(dodecylcarbamoylamino)-3-phenylpropanoyl]amino]hexyl]-3-phenylpropanamide
CID 102449042
2-benzyl-3-methyl-N-[3-(methylamino)propyl]butanamide
CID 119430585
benzyl N-[(2S)-1-oxo-3-phenyl-1-[16-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexadecylamino]propan-2-yl]carbamate
CID 71491760
benzyl N-[(2S)-1-oxo-3-phenyl-1-[10-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]decylamino]propan-2-yl]carbamate
CID 99653330
(2S)-2-amino-N-[2-[6-(methylamino)hexylamino]-2-oxoethyl]-3-phenylpropanamide
CID 118485925
5-[[2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-N-pentylpentanamide
CID 171640025
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
2-[[2-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]acetyl]amino]acetic acid
CID 70669722
N-[(2S)-1-(dodecylamino)-1-oxo-3-phenylpropan-2-yl]dodecanamide
CID 12049932

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[6-(methylamino)hexyl]-3-phenylpropanamide?
The IUPAC name of 2-(methylamino)-N-[6-(methylamino)hexyl]-3-phenylpropanamide (CID 172626022) is 2-(methylamino)-N-[6-(methylamino)hexyl]-3-phenylpropanamide.
What is the SMILES notation for 2-(methylamino)-N-[6-(methylamino)hexyl]-3-phenylpropanamide?
The canonical SMILES for 2-(methylamino)-N-[6-(methylamino)hexyl]-3-phenylpropanamide is CNCCCCCCNC(=O)C(Cc1ccccc1)NC.
What is the InChIKey of 2-(methylamino)-N-[6-(methylamino)hexyl]-3-phenylpropanamide?
The InChIKey is INYQJZRGUSRNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-18-12-8-3-4-9-13-20-17(21)16(19-2)14-15-10-6-5-7-11-15/h5-7,10-11,16,18-19H,3-4,8-9,12-14H2,1-2H3,(H,20,21).
What are the key properties of 2-(methylamino)-N-[6-(methylamino)hexyl]-3-phenylpropanamide?
2-(methylamino)-N-[6-(methylamino)hexyl]-3-phenylpropanamide has a molecular weight of 291.44 g/mol, XLogP of 1.71, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[6-(methylamino)hexyl]-3-phenylpropanamide is sourced from PubChem (CID 172626022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).