2-(aminomethyl)-N-tert-butyl-3-[4-(dimethylamino)phenyl]propanamide

C16H27N3O — CID 62082409

IUPAC2-(aminomethyl)-N-tert-butyl-3-[4-(dimethylamino)phenyl]propanamide
SMILESCN(C)c1ccc(CC(CN)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H27N3O/c1-16(2,3)18-15(20)13(11-17)10-12-6-8-14(9-7-12)19(4)5/h6-9,13H,10-11,17H2,1-5H3,(H,18,20)
InChIKeyCRPWHTBZPQRTPZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.78
Rot. Bonds5

About 2-(aminomethyl)-N-tert-butyl-3-[4-(dimethylamino)phenyl]propanamide

2-(aminomethyl)-N-tert-butyl-3-[4-(dimethylamino)phenyl]propanamide (PubChem CID 62082409) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-tert-butyl-3-[4-(dimethylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-tert-butyl-3-[4-(dimethylamino)phenyl]propanamide
PubChem CID62082409
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-(aminomethyl)-N-tert-butyl-3-[4-(dimethylamino)phenyl]propanamide
SMILESCN(C)c1ccc(CC(CN)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H27N3O/c1-16(2,3)18-15(20)13(11-17)10-12-6-8-14(9-7-12)19(4)5/h6-9,13H,10-11,17H2,1-5H3,(H,18,20)
InChIKeyCRPWHTBZPQRTPZ-UHFFFAOYSA-N
XLogP1.78
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.78
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

(2R)-2-(aminomethyl)-3-[4-(dimethylamino)phenyl]propanoic acid
CID 42079765
2-(aminomethyl)-N-tert-butyl-3-(4-cyclopropylphenyl)propanamide
CID 79980056
2-(aminomethyl)-N-tert-butyl-3-(4-methoxy-3-methylphenyl)propanamide
CID 62131885
2-(aminomethyl)-3-(4-tert-butylphenyl)-N-methylpropanamide
CID 62095937
2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]butanamide
CID 65229471
2-(aminomethyl)-3-(4-tert-butylphenyl)-N,N-dimethylpropanamide
CID 55034895
(2R)-N-tert-butyl-2-[2-[4-(dimethylamino)phenyl]ethylcarbamoylamino]propanamide
CID 95326604
2-(aminomethyl)-N-tert-butyl-3-(5-methyl-2-pyridinyl)propanamide
CID 81312245
3-[4-(dimethylamino)phenyl]-N-hydroxy-2-methylpropanamide
CID 20684753
2-[[4-(dimethylamino)phenyl]methyl]propanedioic acid
CID 15120645
3-[(4-acetylphenyl)methyl]-4-aminobutan-2-one
CID 70492292
methyl 2-(aminomethyl)-3-(4-tert-butylphenyl)propanoate
CID 43148220

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-tert-butyl-3-[4-(dimethylamino)phenyl]propanamide?
The IUPAC name of 2-(aminomethyl)-N-tert-butyl-3-[4-(dimethylamino)phenyl]propanamide (CID 62082409) is 2-(aminomethyl)-N-tert-butyl-3-[4-(dimethylamino)phenyl]propanamide.
What is the SMILES notation for 2-(aminomethyl)-N-tert-butyl-3-[4-(dimethylamino)phenyl]propanamide?
The canonical SMILES for 2-(aminomethyl)-N-tert-butyl-3-[4-(dimethylamino)phenyl]propanamide is CN(C)c1ccc(CC(CN)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of 2-(aminomethyl)-N-tert-butyl-3-[4-(dimethylamino)phenyl]propanamide?
The InChIKey is CRPWHTBZPQRTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-16(2,3)18-15(20)13(11-17)10-12-6-8-14(9-7-12)19(4)5/h6-9,13H,10-11,17H2,1-5H3,(H,18,20).
What are the key properties of 2-(aminomethyl)-N-tert-butyl-3-[4-(dimethylamino)phenyl]propanamide?
2-(aminomethyl)-N-tert-butyl-3-[4-(dimethylamino)phenyl]propanamide has a molecular weight of 277.41 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-tert-butyl-3-[4-(dimethylamino)phenyl]propanamide is sourced from PubChem (CID 62082409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).