(2S)-2-amino-5-[4-(dimethylamino)phenyl]pentanamide

C13H21N3O — CID 174576031

IUPAC(2S)-2-amino-5-[4-(dimethylamino)phenyl]pentanamide
SMILESCN(C)c1ccc(CCC[C@H](N)C(N)=O)cc1
InChIInChI=1S/C13H21N3O/c1-16(2)11-8-6-10(7-9-11)4-3-5-12(14)13(15)17/h6-9,12H,3-5,14H2,1-2H3,(H2,15,17)/t12-/m0/s1
InChIKeyGZJHKBBYPOFDQA-LBPRGKRZSA-N
MW235.33 g/mol
LogP0.89
Rot. Bonds6

About (2S)-2-amino-5-[4-(dimethylamino)phenyl]pentanamide

(2S)-2-amino-5-[4-(dimethylamino)phenyl]pentanamide (PubChem CID 174576031) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S)-2-amino-5-[4-(dimethylamino)phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-5-[4-(dimethylamino)phenyl]pentanamide
PubChem CID174576031
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(2S)-2-amino-5-[4-(dimethylamino)phenyl]pentanamide
SMILESCN(C)c1ccc(CCC[C@H](N)C(N)=O)cc1
InChIInChI=1S/C13H21N3O/c1-16(2)11-8-6-10(7-9-11)4-3-5-12(14)13(15)17/h6-9,12H,3-5,14H2,1-2H3,(H2,15,17)/t12-/m0/s1
InChIKeyGZJHKBBYPOFDQA-LBPRGKRZSA-N
XLogP0.89
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-methylbutyl 5-[4-(dimethylamino)phenyl]pentanoate
CID 174402485
2-amino-N'-[4-(4-methylphenyl)butanoyl]heptanediamide
CID 168749198
2-cyano-3-[4-(dimethylamino)phenyl]propanamide
CID 3145868
2-[4-(dimethylamino)phenyl]ethylurea;hydrochloride
CID 3032080
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxypentanamide
CID 81088409
3-[4-(dimethylamino)phenyl]propyl 2-methylprop-2-enoate
CID 152697543
2-amino-5-(4-bromophenyl)pentanoic acid
CID 83664406
2-amino-5-(4-fluorophenyl)pentanoic acid
CID 83639572
4-amino-5-[4-(dimethylamino)phenyl]pentanoic acid
CID 55154057
methyl 3-[(4S)-4,5-diamino-5-oxopentyl]benzoate;hydrochloride
CID 69266366
4-heptyl-N,N-dimethylaniline
CID 20777180
N-(2-amino-2-oxoethyl)-3-[4-(dimethylamino)phenyl]propanamide
CID 60717379

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[4-(dimethylamino)phenyl]pentanamide?
The IUPAC name of (2S)-2-amino-5-[4-(dimethylamino)phenyl]pentanamide (CID 174576031) is (2S)-2-amino-5-[4-(dimethylamino)phenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-5-[4-(dimethylamino)phenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-5-[4-(dimethylamino)phenyl]pentanamide is CN(C)c1ccc(CCC[C@H](N)C(N)=O)cc1.
What is the InChIKey of (2S)-2-amino-5-[4-(dimethylamino)phenyl]pentanamide?
The InChIKey is GZJHKBBYPOFDQA-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H21N3O/c1-16(2)11-8-6-10(7-9-11)4-3-5-12(14)13(15)17/h6-9,12H,3-5,14H2,1-2H3,(H2,15,17)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-5-[4-(dimethylamino)phenyl]pentanamide?
(2S)-2-amino-5-[4-(dimethylamino)phenyl]pentanamide has a molecular weight of 235.33 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[4-(dimethylamino)phenyl]pentanamide is sourced from PubChem (CID 174576031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).