2-amino-N-[2-[(dimethylamino)methyl]phenyl]pentanamide

C14H23N3O — CID 43695727

IUPAC2-amino-N-[2-[(dimethylamino)methyl]phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1ccccc1CN(C)C
InChIInChI=1S/C14H23N3O/c1-4-7-12(15)14(18)16-13-9-6-5-8-11(13)10-17(2)3/h5-6,8-9,12H,4,7,10,15H2,1-3H3,(H,16,18)
InChIKeyTYHCZHOZJROWPJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.81
Rot. Bonds6

About 2-amino-N-[2-[(dimethylamino)methyl]phenyl]pentanamide

2-amino-N-[2-[(dimethylamino)methyl]phenyl]pentanamide (PubChem CID 43695727) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-amino-N-[2-[(dimethylamino)methyl]phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[2-[(dimethylamino)methyl]phenyl]pentanamide
PubChem CID43695727
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-amino-N-[2-[(dimethylamino)methyl]phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1ccccc1CN(C)C
InChIInChI=1S/C14H23N3O/c1-4-7-12(15)14(18)16-13-9-6-5-8-11(13)10-17(2)3/h5-6,8-9,12H,4,7,10,15H2,1-3H3,(H,16,18)
InChIKeyTYHCZHOZJROWPJ-UHFFFAOYSA-N
XLogP1.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(methoxymethyl)phenyl]pentanamide
CID 43701011
2-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxypropanamide
CID 81082978
(2R)-2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pentanamide
CID 103813347
2-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]pentanamide
CID 119899281
N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane
CID 142252989
2-amino-N-[2-(benzenesulfonylmethyl)phenyl]pentanamide;hydrochloride
CID 119320774
2-amino-N-[2-[(dimethylamino)methyl]phenyl]acetamide
CID 43695681
5-amino-N-[2-[(dimethylamino)methyl]phenyl]hexanamide
CID 82848561
(2R)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]pentanamide
CID 107568545
(2R)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]pentanamide
CID 103813583
2-amino-N-(2-propoxyphenyl)pentanamide
CID 43702443
2-amino-N-(2-phenylsulfanylphenyl)pentanamide
CID 61253814

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(dimethylamino)methyl]phenyl]pentanamide?
The IUPAC name of 2-amino-N-[2-[(dimethylamino)methyl]phenyl]pentanamide (CID 43695727) is 2-amino-N-[2-[(dimethylamino)methyl]phenyl]pentanamide.
What is the SMILES notation for 2-amino-N-[2-[(dimethylamino)methyl]phenyl]pentanamide?
The canonical SMILES for 2-amino-N-[2-[(dimethylamino)methyl]phenyl]pentanamide is CCCC(N)C(=O)Nc1ccccc1CN(C)C.
What is the InChIKey of 2-amino-N-[2-[(dimethylamino)methyl]phenyl]pentanamide?
The InChIKey is TYHCZHOZJROWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-7-12(15)14(18)16-13-9-6-5-8-11(13)10-17(2)3/h5-6,8-9,12H,4,7,10,15H2,1-3H3,(H,16,18).
What are the key properties of 2-amino-N-[2-[(dimethylamino)methyl]phenyl]pentanamide?
2-amino-N-[2-[(dimethylamino)methyl]phenyl]pentanamide has a molecular weight of 249.36 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(dimethylamino)methyl]phenyl]pentanamide is sourced from PubChem (CID 43695727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).