(2S)-2-amino-N-[2-(N-methylanilino)ethyl]hexanamide

C15H25N3O — CID 103831929

IUPAC(2S)-2-amino-N-[2-(N-methylanilino)ethyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCCN(C)c1ccccc1
InChIInChI=1S/C15H25N3O/c1-3-4-10-14(16)15(19)17-11-12-18(2)13-8-6-5-7-9-13/h5-9,14H,3-4,10-12,16H2,1-2H3,(H,17,19)/t14-/m0/s1
InChIKeyRWBAHTZWIYMDDM-AWEZNQCLSA-N
MW263.38 g/mol
LogP1.76
Rot. Bonds8

About (2S)-2-amino-N-[2-(N-methylanilino)ethyl]hexanamide

(2S)-2-amino-N-[2-(N-methylanilino)ethyl]hexanamide (PubChem CID 103831929) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(N-methylanilino)ethyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(N-methylanilino)ethyl]hexanamide
PubChem CID103831929
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(2S)-2-amino-N-[2-(N-methylanilino)ethyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCCN(C)c1ccccc1
InChIInChI=1S/C15H25N3O/c1-3-4-10-14(16)15(19)17-11-12-18(2)13-8-6-5-7-9-13/h5-9,14H,3-4,10-12,16H2,1-2H3,(H,17,19)/t14-/m0/s1
InChIKeyRWBAHTZWIYMDDM-AWEZNQCLSA-N
XLogP1.76
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(N-methylanilino)ethyl]-4-methylsulfanylbutanamide
CID 104908153
2-amino-4-methoxy-N-[3-(N-methylanilino)propyl]butanamide
CID 62475149
(2R)-2-amino-N-[3-(N-methylanilino)propyl]-4-methylsulfanylbutanamide
CID 104906752
3-amino-N-[2-(N-methylanilino)ethyl]butanamide
CID 61258847
2-amino-N-[3-(N-methylanilino)propyl]butanediamide
CID 60848085
2-amino-N-[3-(N-ethylanilino)propyl]pentanamide
CID 61260460
2-amino-N-(2-phenylsulfanylethyl)hexanamide
CID 54881069
2-chloro-N-[2-(N-methylanilino)ethyl]propanamide
CID 43168070
N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629
2-amino-N-[(2-ethylphenyl)methyl]hexanamide
CID 64682652
(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]hexanamide
CID 103832053
(2S)-2-amino-N-[4-(dimethylamino)butyl]hexanamide
CID 103831986

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(N-methylanilino)ethyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[2-(N-methylanilino)ethyl]hexanamide (CID 103831929) is (2S)-2-amino-N-[2-(N-methylanilino)ethyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(N-methylanilino)ethyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(N-methylanilino)ethyl]hexanamide is CCCC[C@H](N)C(=O)NCCN(C)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[2-(N-methylanilino)ethyl]hexanamide?
The InChIKey is RWBAHTZWIYMDDM-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-4-10-14(16)15(19)17-11-12-18(2)13-8-6-5-7-9-13/h5-9,14H,3-4,10-12,16H2,1-2H3,(H,17,19)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(N-methylanilino)ethyl]hexanamide?
(2S)-2-amino-N-[2-(N-methylanilino)ethyl]hexanamide has a molecular weight of 263.38 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(N-methylanilino)ethyl]hexanamide is sourced from PubChem (CID 103831929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).