N-(1-aminopropan-2-yl)-2-(4-bromophenoxy)-N-methylpropanamide

C13H19BrN2O2 — CID 119584955

IUPACN-(1-aminopropan-2-yl)-2-(4-bromophenoxy)-N-methylpropanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)N(C)C(C)CN
InChIInChI=1S/C13H19BrN2O2/c1-9(8-15)16(3)13(17)10(2)18-12-6-4-11(14)5-7-12/h4-7,9-10H,8,15H2,1-3H3
InChIKeyZZGDNGIRDRWKFI-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.02
Rot. Bonds5

About N-(1-aminopropan-2-yl)-2-(4-bromophenoxy)-N-methylpropanamide

N-(1-aminopropan-2-yl)-2-(4-bromophenoxy)-N-methylpropanamide (PubChem CID 119584955) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-(4-bromophenoxy)-N-methylpropanamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-(4-bromophenoxy)-N-methylpropanamide
PubChem CID119584955
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC NameN-(1-aminopropan-2-yl)-2-(4-bromophenoxy)-N-methylpropanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)N(C)C(C)CN
InChIInChI=1S/C13H19BrN2O2/c1-9(8-15)16(3)13(17)10(2)18-12-6-4-11(14)5-7-12/h4-7,9-10H,8,15H2,1-3H3
InChIKeyZZGDNGIRDRWKFI-UHFFFAOYSA-N
XLogP2.02
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)-N-methylpropanamide
CID 119584481
N-(1-aminopropan-2-yl)-2-(3-bromophenoxy)-N-methylpropanamide;hydrochloride
CID 119584143
N-(1-aminopropan-2-yl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide
CID 119584023
N-(1-aminopropan-2-yl)-2-(2-bromophenoxy)-N-methylpropanamide;hydrochloride
CID 119583700
2-(3-acetylphenoxy)-N-(1-aminopropan-2-yl)-N-methylpropanamide;hydrochloride
CID 119581712
ethyl 2-[2-(4-bromophenoxy)propanoyl-ethylamino]acetate
CID 61012258
(2R)-2-(4-bromophenoxy)propanamide
CID 974910
2-[2-(4-bromophenoxy)propanoyl-propan-2-ylamino]acetic acid
CID 60831884
4-[2-(4-bromophenoxy)propanoyl-methylamino]butanoic acid
CID 43240368
methyl 2-[2-(4-bromophenoxy)propanoyl-propan-2-ylamino]acetate
CID 60765971
methyl 3-amino-2-(4-bromophenoxy)propanoate
CID 110209426
N-(1-aminopropan-2-yl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119583540

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-(4-bromophenoxy)-N-methylpropanamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-(4-bromophenoxy)-N-methylpropanamide (CID 119584955) is N-(1-aminopropan-2-yl)-2-(4-bromophenoxy)-N-methylpropanamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-(4-bromophenoxy)-N-methylpropanamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-(4-bromophenoxy)-N-methylpropanamide is CC(Oc1ccc(Br)cc1)C(=O)N(C)C(C)CN.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-(4-bromophenoxy)-N-methylpropanamide?
The InChIKey is ZZGDNGIRDRWKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-9(8-15)16(3)13(17)10(2)18-12-6-4-11(14)5-7-12/h4-7,9-10H,8,15H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-2-(4-bromophenoxy)-N-methylpropanamide?
N-(1-aminopropan-2-yl)-2-(4-bromophenoxy)-N-methylpropanamide has a molecular weight of 315.21 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-(4-bromophenoxy)-N-methylpropanamide is sourced from PubChem (CID 119584955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).