(2S)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methyl-3-phenylpropanamide

C20H23BrN2O — CID 119333582

IUPAC(2S)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methyl-3-phenylpropanamide
SMILESCN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C20H23BrN2O/c1-23(19(24)18(22)13-15-5-3-2-4-6-15)14-20(11-12-20)16-7-9-17(21)10-8-16/h2-10,18H,11-14,22H2,1H3/t18-/m0/s1
InChIKeyFYOCSFISUXVIKL-SFHVURJKSA-N
MW387.32 g/mol
LogP3.51
Rot. Bonds6

About (2S)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methyl-3-phenylpropanamide

(2S)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methyl-3-phenylpropanamide (PubChem CID 119333582) has the molecular formula C20H23BrN2O and a molecular weight of 387.32 g/mol. Its IUPAC name is (2S)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methyl-3-phenylpropanamide
PubChem CID119333582
Molecular FormulaC20H23BrN2O
Molecular Weight387.32 g/mol
Exact Mass386.10
IUPAC Name(2S)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methyl-3-phenylpropanamide
SMILESCN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C20H23BrN2O/c1-23(19(24)18(22)13-15-5-3-2-4-6-15)14-20(11-12-20)16-7-9-17(21)10-8-16/h2-10,18H,11-14,22H2,1H3/t18-/m0/s1
InChIKeyFYOCSFISUXVIKL-SFHVURJKSA-N
XLogP3.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylpropanamide
CID 119333592
N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide
CID 97215973
(2S)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-phenylpropanamide
CID 104985329
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352
(2S)-2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 61162616
(2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide
CID 103797277
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide
CID 79379287
(2S)-2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 61165317
(2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119266895
(2R)-2-amino-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 78984867
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]-methylamino]-3-methylbutanoic acid
CID 86751008

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methyl-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methyl-3-phenylpropanamide (CID 119333582) is (2S)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methyl-3-phenylpropanamide is CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methyl-3-phenylpropanamide?
The InChIKey is FYOCSFISUXVIKL-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23BrN2O/c1-23(19(24)18(22)13-15-5-3-2-4-6-15)14-20(11-12-20)16-7-9-17(21)10-8-16/h2-10,18H,11-14,22H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methyl-3-phenylpropanamide?
(2S)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methyl-3-phenylpropanamide has a molecular weight of 387.32 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 119333582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).