N-tert-butyl-2-[(3,4-dibromophenyl)methylamino]propanamide

C14H20Br2N2O — CID 115693123

IUPACN-tert-butyl-2-[(3,4-dibromophenyl)methylamino]propanamide
SMILESCC(NCc1ccc(Br)c(Br)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H20Br2N2O/c1-9(13(19)18-14(2,3)4)17-8-10-5-6-11(15)12(16)7-10/h5-7,9,17H,8H2,1-4H3,(H,18,19)
InChIKeyPWLQTCNTEBTWCP-UHFFFAOYSA-N
MW392.14 g/mol
LogP3.60
Rot. Bonds4

About N-tert-butyl-2-[(3,4-dibromophenyl)methylamino]propanamide

N-tert-butyl-2-[(3,4-dibromophenyl)methylamino]propanamide (PubChem CID 115693123) has the molecular formula C14H20Br2N2O and a molecular weight of 392.14 g/mol. Its IUPAC name is N-tert-butyl-2-[(3,4-dibromophenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3,4-dibromophenyl)methylamino]propanamide
PubChem CID115693123
Molecular FormulaC14H20Br2N2O
Molecular Weight392.14 g/mol
Exact Mass389.99
IUPAC NameN-tert-butyl-2-[(3,4-dibromophenyl)methylamino]propanamide
SMILESCC(NCc1ccc(Br)c(Br)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H20Br2N2O/c1-9(13(19)18-14(2,3)4)17-8-10-5-6-11(15)12(16)7-10/h5-7,9,17H,8H2,1-4H3,(H,18,19)
InChIKeyPWLQTCNTEBTWCP-UHFFFAOYSA-N
XLogP3.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.14
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[(4-methylphenyl)methylamino]propanamide
CID 43087569
2-[4-[[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetic acid
CID 103262777
N-tert-butyl-2-[(4-trimethylsilylphenyl)methylamino]propanamide
CID 103438042
N-tert-butyl-2-[(3,5-difluorophenyl)methylamino]propanamide
CID 115579695
2-[(4-bromothiophen-3-yl)methylamino]-N-tert-butylpropanamide
CID 112739671
N-tert-butyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide
CID 61003389
N-tert-butyl-2-(quinolin-6-ylmethylamino)propanamide
CID 115595956
N-tert-butyl-2-(pyrimidin-5-ylmethylamino)propanamide
CID 112688824
2-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpropanamide
CID 81002150
2-[(5-bromothiophen-2-yl)methylamino]-N-tert-butylpropanamide
CID 47165182
2-[(4-bromo-3-methylphenyl)methylamino]-N-ethylpropanamide
CID 66471990
N-tert-butyl-2-[(4-propoxyphenyl)methylamino]propanamide
CID 115588909

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3,4-dibromophenyl)methylamino]propanamide?
The IUPAC name of N-tert-butyl-2-[(3,4-dibromophenyl)methylamino]propanamide (CID 115693123) is N-tert-butyl-2-[(3,4-dibromophenyl)methylamino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(3,4-dibromophenyl)methylamino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(3,4-dibromophenyl)methylamino]propanamide is CC(NCc1ccc(Br)c(Br)c1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(3,4-dibromophenyl)methylamino]propanamide?
The InChIKey is PWLQTCNTEBTWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O/c1-9(13(19)18-14(2,3)4)17-8-10-5-6-11(15)12(16)7-10/h5-7,9,17H,8H2,1-4H3,(H,18,19).
What are the key properties of N-tert-butyl-2-[(3,4-dibromophenyl)methylamino]propanamide?
N-tert-butyl-2-[(3,4-dibromophenyl)methylamino]propanamide has a molecular weight of 392.14 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3,4-dibromophenyl)methylamino]propanamide is sourced from PubChem (CID 115693123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).