N'-[1-(3-bromophenyl)-2-methylpropan-2-yl]-N-ethylpropanediamide

C15H21BrN2O2 — CID 75500743

IUPACN'-[1-(3-bromophenyl)-2-methylpropan-2-yl]-N-ethylpropanediamide
SMILESCCNC(=O)CC(=O)NC(C)(C)Cc1cccc(Br)c1
InChIInChI=1S/C15H21BrN2O2/c1-4-17-13(19)9-14(20)18-15(2,3)10-11-6-5-7-12(16)8-11/h5-8H,4,9-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyYABZOVRTQHQPKL-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.41
Rot. Bonds6

About N'-[1-(3-bromophenyl)-2-methylpropan-2-yl]-N-ethylpropanediamide

N'-[1-(3-bromophenyl)-2-methylpropan-2-yl]-N-ethylpropanediamide (PubChem CID 75500743) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N'-[1-(3-bromophenyl)-2-methylpropan-2-yl]-N-ethylpropanediamide.

Molecular Properties

Compound NameN'-[1-(3-bromophenyl)-2-methylpropan-2-yl]-N-ethylpropanediamide
PubChem CID75500743
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC NameN'-[1-(3-bromophenyl)-2-methylpropan-2-yl]-N-ethylpropanediamide
SMILESCCNC(=O)CC(=O)NC(C)(C)Cc1cccc(Br)c1
InChIInChI=1S/C15H21BrN2O2/c1-4-17-13(19)9-14(20)18-15(2,3)10-11-6-5-7-12(16)8-11/h5-8H,4,9-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyYABZOVRTQHQPKL-UHFFFAOYSA-N
XLogP2.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100702626
2-[(3-bromophenyl)methyl]-1-tert-butyl-3-ethylguanidine
CID 110965962
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
3-[3-(3-bromophenyl)propanoylamino]-3-methylbutanoic acid
CID 64671922
N-(2-amino-2-methylpropyl)-2-(3-bromophenyl)acetamide
CID 81483325
methyl 3-[(3-bromophenyl)methylamino]-3-oxopropanoate
CID 115174358
2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 75419116
3-amino-N-[(3-bromophenyl)methyl]-3-methylbutanamide
CID 64678020
N-[3-(bromomethyl)pentan-3-yl]-2-(3-bromophenyl)acetamide
CID 113275793
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(3-bromophenyl)acetamide
CID 114010943
3-[(3-bromophenyl)methyl]pentan-3-ol
CID 60799504
2-[(3-bromophenyl)methylamino]-2-methylpropan-1-ol
CID 4715466

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-bromophenyl)-2-methylpropan-2-yl]-N-ethylpropanediamide?
The IUPAC name of N'-[1-(3-bromophenyl)-2-methylpropan-2-yl]-N-ethylpropanediamide (CID 75500743) is N'-[1-(3-bromophenyl)-2-methylpropan-2-yl]-N-ethylpropanediamide.
What is the SMILES notation for N'-[1-(3-bromophenyl)-2-methylpropan-2-yl]-N-ethylpropanediamide?
The canonical SMILES for N'-[1-(3-bromophenyl)-2-methylpropan-2-yl]-N-ethylpropanediamide is CCNC(=O)CC(=O)NC(C)(C)Cc1cccc(Br)c1.
What is the InChIKey of N'-[1-(3-bromophenyl)-2-methylpropan-2-yl]-N-ethylpropanediamide?
The InChIKey is YABZOVRTQHQPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-4-17-13(19)9-14(20)18-15(2,3)10-11-6-5-7-12(16)8-11/h5-8H,4,9-10H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N'-[1-(3-bromophenyl)-2-methylpropan-2-yl]-N-ethylpropanediamide?
N'-[1-(3-bromophenyl)-2-methylpropan-2-yl]-N-ethylpropanediamide has a molecular weight of 341.25 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-bromophenyl)-2-methylpropan-2-yl]-N-ethylpropanediamide is sourced from PubChem (CID 75500743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).