(2S)-2-amino-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethylpropanamide

C15H25N3O — CID 99703454

IUPAC(2S)-2-amino-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethylpropanamide
SMILESCCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H](C)N
InChIInChI=1S/C15H25N3O/c1-5-18(15(19)12(2)16)11-14-8-6-13(7-9-14)10-17(3)4/h6-9,12H,5,10-11,16H2,1-4H3/t12-/m0/s1
InChIKeyCWNFSNWVWZFQLI-LBPRGKRZSA-N
MW263.38 g/mol
LogP1.44
Rot. Bonds6

About (2S)-2-amino-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethylpropanamide

(2S)-2-amino-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethylpropanamide (PubChem CID 99703454) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethylpropanamide
PubChem CID99703454
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(2S)-2-amino-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethylpropanamide
SMILESCCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H](C)N
InChIInChI=1S/C15H25N3O/c1-5-18(15(19)12(2)16)11-14-8-6-13(7-9-14)10-17(3)4/h6-9,12H,5,10-11,16H2,1-4H3/t12-/m0/s1
InChIKeyCWNFSNWVWZFQLI-LBPRGKRZSA-N
XLogP1.44
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 54995849
2-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 119289283
(2S)-2-amino-N-ethyl-N-[(4-nitrophenyl)methyl]propanamide
CID 66568438
2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide
CID 54872566
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 119300447
(2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
CID 78973383
(2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 120873188
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
CID 60682717
(2S)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-3-methylpentanamide
CID 61172861
3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
CID 62669455
N-ethyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 91015016
(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 61163391

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethylpropanamide?
The IUPAC name of (2S)-2-amino-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethylpropanamide (CID 99703454) is (2S)-2-amino-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethylpropanamide is CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethylpropanamide?
The InChIKey is CWNFSNWVWZFQLI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-18(15(19)12(2)16)11-14-8-6-13(7-9-14)10-17(3)4/h6-9,12H,5,10-11,16H2,1-4H3/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethylpropanamide?
(2S)-2-amino-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethylpropanamide has a molecular weight of 263.38 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethylpropanamide is sourced from PubChem (CID 99703454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).