N-[(1S)-1-(4-bromophenyl)ethyl]-3-(tert-butylamino)propanamide

C15H23BrN2O — CID 81359603

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]-3-(tert-butylamino)propanamide
SMILESC[C@H](NC(=O)CCNC(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O/c1-11(12-5-7-13(16)8-6-12)18-14(19)9-10-17-15(2,3)4/h5-8,11,17H,9-10H2,1-4H3,(H,18,19)/t11-/m0/s1
InChIKeyIFXMMRSQCWCETF-NSHDSACASA-N
MW327.27 g/mol
LogP3.40
Rot. Bonds5

About N-[(1S)-1-(4-bromophenyl)ethyl]-3-(tert-butylamino)propanamide

N-[(1S)-1-(4-bromophenyl)ethyl]-3-(tert-butylamino)propanamide (PubChem CID 81359603) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]-3-(tert-butylamino)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]-3-(tert-butylamino)propanamide
PubChem CID81359603
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]-3-(tert-butylamino)propanamide
SMILESC[C@H](NC(=O)CCNC(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O/c1-11(12-5-7-13(16)8-6-12)18-14(19)9-10-17-15(2,3)4/h5-8,11,17H,9-10H2,1-4H3,(H,18,19)/t11-/m0/s1
InChIKeyIFXMMRSQCWCETF-NSHDSACASA-N
XLogP3.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-(4-bromophenyl)ethyl]-3-(tert-butylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloropropanamide
CID 81359144
tert-butyl 4-[1-(4-bromophenyl)ethylamino]-4-oxobutanoate
CID 106707193
N-[1-(4-bromophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119753158
3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359098
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359028
3-[[(1S)-1-(4-bromophenyl)ethyl]carbamoylamino]propanoic acid
CID 94221926
3-[1-(4-bromophenyl)ethylamino]-3-oxopropanoic acid
CID 62232239
6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide
CID 81359837
5-[[(1R)-1-(4-bromophenyl)ethyl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 81353966
3-[(4-bromophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 55433081
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-5,5-dimethylhexanamide
CID 104867319
N-[1-(4-bromophenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18093617

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-3-(tert-butylamino)propanamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-3-(tert-butylamino)propanamide (CID 81359603) is N-[(1S)-1-(4-bromophenyl)ethyl]-3-(tert-butylamino)propanamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]-3-(tert-butylamino)propanamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]-3-(tert-butylamino)propanamide is C[C@H](NC(=O)CCNC(C)(C)C)c1ccc(Br)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]-3-(tert-butylamino)propanamide?
The InChIKey is IFXMMRSQCWCETF-NSHDSACASA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-11(12-5-7-13(16)8-6-12)18-14(19)9-10-17-15(2,3)4/h5-8,11,17H,9-10H2,1-4H3,(H,18,19)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]-3-(tert-butylamino)propanamide?
N-[(1S)-1-(4-bromophenyl)ethyl]-3-(tert-butylamino)propanamide has a molecular weight of 327.27 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)ethyl]-3-(tert-butylamino)propanamide is sourced from PubChem (CID 81359603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).