(2S)-2-amino-N-[3-(diethylaminomethyl)phenyl]-3,3-dimethylbutanamide

C17H29N3O — CID 61177892

IUPAC(2S)-2-amino-N-[3-(diethylaminomethyl)phenyl]-3,3-dimethylbutanamide
SMILESCCN(CC)Cc1cccc(NC(=O)[C@@H](N)C(C)(C)C)c1
InChIInChI=1S/C17H29N3O/c1-6-20(7-2)12-13-9-8-10-14(11-13)19-16(21)15(18)17(3,4)5/h8-11,15H,6-7,12,18H2,1-5H3,(H,19,21)/t15-/m1/s1
InChIKeyBEGUPUUAYOQPKF-OAHLLOKOSA-N
MW291.44 g/mol
LogP2.84
Rot. Bonds6

About (2S)-2-amino-N-[3-(diethylaminomethyl)phenyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[3-(diethylaminomethyl)phenyl]-3,3-dimethylbutanamide (PubChem CID 61177892) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(diethylaminomethyl)phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(diethylaminomethyl)phenyl]-3,3-dimethylbutanamide
PubChem CID61177892
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name(2S)-2-amino-N-[3-(diethylaminomethyl)phenyl]-3,3-dimethylbutanamide
SMILESCCN(CC)Cc1cccc(NC(=O)[C@@H](N)C(C)(C)C)c1
InChIInChI=1S/C17H29N3O/c1-6-20(7-2)12-13-9-8-10-14(11-13)19-16(21)15(18)17(3,4)5/h8-11,15H,6-7,12,18H2,1-5H3,(H,19,21)/t15-/m1/s1
InChIKeyBEGUPUUAYOQPKF-OAHLLOKOSA-N
XLogP2.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
CID 119732261
(2S)-2-amino-N-[3-(ethoxymethyl)phenyl]-3,3-dimethylbutanamide
CID 119768827
N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide
CID 76891982
2-amino-N-[3-(diethylaminomethyl)phenyl]-2-phenylpropanamide
CID 120595517
2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76888107
4-amino-N-[3-(diethylaminomethyl)phenyl]butanamide;dihydrochloride
CID 119852879
5-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide
CID 82851014
ethyl 3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]benzoate
CID 103929675
(2S)-2-amino-N-(3-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670393
3-[(2-amino-3,3-dimethylbutanoyl)amino]-N,N-dimethylbenzamide
CID 76887735
(2S)-2-amino-3,3-dimethyl-N-[3-(propylsulfonylamino)phenyl]butanamide
CID 119794996
2-(4-bromophenoxy)-N-[3-(diethylaminomethyl)phenyl]propanamide
CID 46439306

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(diethylaminomethyl)phenyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[3-(diethylaminomethyl)phenyl]-3,3-dimethylbutanamide (CID 61177892) is (2S)-2-amino-N-[3-(diethylaminomethyl)phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(diethylaminomethyl)phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(diethylaminomethyl)phenyl]-3,3-dimethylbutanamide is CCN(CC)Cc1cccc(NC(=O)[C@@H](N)C(C)(C)C)c1.
What is the InChIKey of (2S)-2-amino-N-[3-(diethylaminomethyl)phenyl]-3,3-dimethylbutanamide?
The InChIKey is BEGUPUUAYOQPKF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H29N3O/c1-6-20(7-2)12-13-9-8-10-14(11-13)19-16(21)15(18)17(3,4)5/h8-11,15H,6-7,12,18H2,1-5H3,(H,19,21)/t15-/m1/s1.
What are the key properties of (2S)-2-amino-N-[3-(diethylaminomethyl)phenyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[3-(diethylaminomethyl)phenyl]-3,3-dimethylbutanamide has a molecular weight of 291.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(diethylaminomethyl)phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 61177892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).