N-[2-(2-bromophenyl)ethyl]-3-methyl-2-(3-methylbutanoylamino)butanamide

C18H27BrN2O2 — CID 49003014

IUPACN-[2-(2-bromophenyl)ethyl]-3-methyl-2-(3-methylbutanoylamino)butanamide
SMILESCC(C)CC(=O)NC(C(=O)NCCc1ccccc1Br)C(C)C
InChIInChI=1S/C18H27BrN2O2/c1-12(2)11-16(22)21-17(13(3)4)18(23)20-10-9-14-7-5-6-8-15(14)19/h5-8,12-13,17H,9-11H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyRSPAUUQJZMRQRJ-UHFFFAOYSA-N
MW383.33 g/mol
LogP3.29
Rot. Bonds8

About N-[2-(2-bromophenyl)ethyl]-3-methyl-2-(3-methylbutanoylamino)butanamide

N-[2-(2-bromophenyl)ethyl]-3-methyl-2-(3-methylbutanoylamino)butanamide (PubChem CID 49003014) has the molecular formula C18H27BrN2O2 and a molecular weight of 383.33 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)ethyl]-3-methyl-2-(3-methylbutanoylamino)butanamide.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)ethyl]-3-methyl-2-(3-methylbutanoylamino)butanamide
PubChem CID49003014
Molecular FormulaC18H27BrN2O2
Molecular Weight383.33 g/mol
Exact Mass382.13
IUPAC NameN-[2-(2-bromophenyl)ethyl]-3-methyl-2-(3-methylbutanoylamino)butanamide
SMILESCC(C)CC(=O)NC(C(=O)NCCc1ccccc1Br)C(C)C
InChIInChI=1S/C18H27BrN2O2/c1-12(2)11-16(22)21-17(13(3)4)18(23)20-10-9-14-7-5-6-8-15(14)19/h5-8,12-13,17H,9-11H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyRSPAUUQJZMRQRJ-UHFFFAOYSA-N
XLogP3.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[2-(2-bromophenyl)ethyl]-2-(carbamoylamino)propanamide
CID 95312924
4-methyl-2-(3-methylbutanoylamino)-N-[3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]pentanamide
CID 123512193
N-[(3-bromo-2-methylphenyl)methylsulfonyl]-3-methyl-2-(3-methylbutanoylamino)butanamide
CID 166378269
3-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]-2-phenylpropanoic acid
CID 119255010
4-amino-N-[2-(2-bromophenyl)ethyl]-2-methylbutanamide
CID 115156135
3-methyl-N-[2-(methylamino)ethyl]-2-(3-methylbutanoylamino)butanamide;hydrochloride
CID 119504149
N-[2-(4-butoxyphenyl)ethyl]-3-methyl-2-(3-methylbutanoylamino)butanamide
CID 55868555
3,5,5-trimethyl-N-[3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]hexanamide
CID 42703731
1-[2-(2-bromophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea
CID 108911211
N-[2-(2-bromoanilino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 17475044
N-(3,3-diphenylpropyl)-3-methyl-2-(3-methylbutanoylamino)pentanamide
CID 42703936
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)ethyl]-3-methyl-2-(3-methylbutanoylamino)butanamide?
The IUPAC name of N-[2-(2-bromophenyl)ethyl]-3-methyl-2-(3-methylbutanoylamino)butanamide (CID 49003014) is N-[2-(2-bromophenyl)ethyl]-3-methyl-2-(3-methylbutanoylamino)butanamide.
What is the SMILES notation for N-[2-(2-bromophenyl)ethyl]-3-methyl-2-(3-methylbutanoylamino)butanamide?
The canonical SMILES for N-[2-(2-bromophenyl)ethyl]-3-methyl-2-(3-methylbutanoylamino)butanamide is CC(C)CC(=O)NC(C(=O)NCCc1ccccc1Br)C(C)C.
What is the InChIKey of N-[2-(2-bromophenyl)ethyl]-3-methyl-2-(3-methylbutanoylamino)butanamide?
The InChIKey is RSPAUUQJZMRQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2O2/c1-12(2)11-16(22)21-17(13(3)4)18(23)20-10-9-14-7-5-6-8-15(14)19/h5-8,12-13,17H,9-11H2,1-4H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(2-bromophenyl)ethyl]-3-methyl-2-(3-methylbutanoylamino)butanamide?
N-[2-(2-bromophenyl)ethyl]-3-methyl-2-(3-methylbutanoylamino)butanamide has a molecular weight of 383.33 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)ethyl]-3-methyl-2-(3-methylbutanoylamino)butanamide is sourced from PubChem (CID 49003014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).