(2S)-2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]hexanamide

C14H21N3O3 — CID 103831187

IUPAC(2S)-2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1cccc(OCC(N)=O)c1
InChIInChI=1S/C14H21N3O3/c1-2-3-7-12(15)14(19)17-10-5-4-6-11(8-10)20-9-13(16)18/h4-6,8,12H,2-3,7,9,15H2,1H3,(H2,16,18)(H,17,19)/t12-/m0/s1
InChIKeySLLVLWWPZBFZQY-LBPRGKRZSA-N
MW279.34 g/mol
LogP1.01
Rot. Bonds8

About (2S)-2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]hexanamide

(2S)-2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]hexanamide (PubChem CID 103831187) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]hexanamide
PubChem CID103831187
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(2S)-2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1cccc(OCC(N)=O)c1
InChIInChI=1S/C14H21N3O3/c1-2-3-7-12(15)14(19)17-10-5-4-6-11(8-10)20-9-13(16)18/h4-6,8,12H,2-3,7,9,15H2,1H3,(H2,16,18)(H,17,19)/t12-/m0/s1
InChIKeySLLVLWWPZBFZQY-LBPRGKRZSA-N
XLogP1.01
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(3-cyanopropoxy)phenyl]hexanamide
CID 60927656
(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]hexanamide
CID 103831964
2-amino-5-methoxy-N-(3-propoxyphenyl)pentanamide
CID 81082999
N-(3-acetamidophenyl)-2-aminohexanamide
CID 60852572
2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylbutanamide;hydrochloride
CID 119277909
(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 93360101
2-[3-[[(2S)-2-aminobutanoyl]amino]phenoxy]acetic acid
CID 79023142
2-[3-(octylamino)phenoxy]acetamide
CID 43720155
2-amino-5-methoxy-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 81071451
2-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]pentanamide;hydrochloride
CID 119284258
2-[3-[[(2S)-2-aminohexanoyl]amino]phenyl]acetic acid
CID 107145776
(2S)-2-amino-N-(3-sulfamoylphenyl)hexanamide
CID 107143839

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]hexanamide (CID 103831187) is (2S)-2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]hexanamide is CCCC[C@H](N)C(=O)Nc1cccc(OCC(N)=O)c1.
What is the InChIKey of (2S)-2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]hexanamide?
The InChIKey is SLLVLWWPZBFZQY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-3-7-12(15)14(19)17-10-5-4-6-11(8-10)20-9-13(16)18/h4-6,8,12H,2-3,7,9,15H2,1H3,(H2,16,18)(H,17,19)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]hexanamide?
(2S)-2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]hexanamide has a molecular weight of 279.34 g/mol, XLogP of 1.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]hexanamide is sourced from PubChem (CID 103831187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).