3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylpropanamide

C15H25N3O — CID 39363585

IUPAC3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylpropanamide
SMILESCC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCN
InChIInChI=1S/C15H25N3O/c1-12(2)18(15(19)9-10-16)11-13-5-7-14(8-6-13)17(3)4/h5-8,12H,9-11,16H2,1-4H3
InChIKeyDNFKISBUBMNSGO-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.84
Rot. Bonds6

About 3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylpropanamide

3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylpropanamide (PubChem CID 39363585) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylpropanamide
PubChem CID39363585
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylpropanamide
SMILESCC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCN
InChIInChI=1S/C15H25N3O/c1-12(2)18(15(19)9-10-16)11-13-5-7-14(8-6-13)17(3)4/h5-8,12H,9-11,16H2,1-4H3
InChIKeyDNFKISBUBMNSGO-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[(4-methylphenyl)methyl]-N-propan-2-ylpropanamide
CID 92930297
3-amino-N-[(4-nitrophenyl)methyl]-N-propan-2-ylpropanamide
CID 119302700
3-amino-N-butan-2-yl-N-[(4-chlorophenyl)methyl]propanamide
CID 112501851
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 60672644
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289693
3-amino-N-propan-2-yl-N-propylpropanamide
CID 43269470
4-amino-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylbutanamide;hydrochloride
CID 119334370
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] (E)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoate
CID 2531213
N-[(4-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 43384017
3-amino-N-benzyl-N-(1-cyclopropylethyl)propanamide;hydrochloride
CID 119265819
2-amino-N-[(4-ethoxyphenyl)methyl]-N-propan-2-ylacetamide
CID 39353233

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylpropanamide (CID 39363585) is 3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylpropanamide is CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCN.
What is the InChIKey of 3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylpropanamide?
The InChIKey is DNFKISBUBMNSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)18(15(19)9-10-16)11-13-5-7-14(8-6-13)17(3)4/h5-8,12H,9-11,16H2,1-4H3.
What are the key properties of 3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylpropanamide?
3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylpropanamide has a molecular weight of 263.38 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 39363585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).