N-(3-amino-2-methylpropyl)-N-ethyl-3-propoxybenzamide

C16H26N2O2 — CID 62919665

IUPACN-(3-amino-2-methylpropyl)-N-ethyl-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)N(CC)CC(C)CN)c1
InChIInChI=1S/C16H26N2O2/c1-4-9-20-15-8-6-7-14(10-15)16(19)18(5-2)12-13(3)11-17/h6-8,10,13H,4-5,9,11-12,17H2,1-3H3
InChIKeyNQEJIYCCNQMBLW-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.53
Rot. Bonds8

About N-(3-amino-2-methylpropyl)-N-ethyl-3-propoxybenzamide

N-(3-amino-2-methylpropyl)-N-ethyl-3-propoxybenzamide (PubChem CID 62919665) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-N-ethyl-3-propoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-N-ethyl-3-propoxybenzamide
PubChem CID62919665
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(3-amino-2-methylpropyl)-N-ethyl-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)N(CC)CC(C)CN)c1
InChIInChI=1S/C16H26N2O2/c1-4-9-20-15-8-6-7-14(10-15)16(19)18(5-2)12-13(3)11-17/h6-8,10,13H,4-5,9,11-12,17H2,1-3H3
InChIKeyNQEJIYCCNQMBLW-UHFFFAOYSA-N
XLogP2.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)-3-propoxybenzamide;hydrochloride
CID 119997780
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-propoxybenzamide
CID 62921386
N,N-dimethyl-3-propoxybenzamide
CID 28639811
N-(2-aminoethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107493616
2-methyl-1-(3-propoxyphenyl)butan-1-one
CID 115788060
N-(2-cyanopropyl)-N-methyl-3-propoxybenzamide
CID 55124980
3-propoxybenzamide
CID 22311435
N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methyl-3-propoxybenzamide
CID 63223603
3-[2-(4-chlorophenoxy)ethoxy]-N,N-diethylbenzamide
CID 13387018
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-propoxybenzamide
CID 76977885
N-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride
CID 120649308

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-N-ethyl-3-propoxybenzamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-N-ethyl-3-propoxybenzamide (CID 62919665) is N-(3-amino-2-methylpropyl)-N-ethyl-3-propoxybenzamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-N-ethyl-3-propoxybenzamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-N-ethyl-3-propoxybenzamide is CCCOc1cccc(C(=O)N(CC)CC(C)CN)c1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-N-ethyl-3-propoxybenzamide?
The InChIKey is NQEJIYCCNQMBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-9-20-15-8-6-7-14(10-15)16(19)18(5-2)12-13(3)11-17/h6-8,10,13H,4-5,9,11-12,17H2,1-3H3.
What are the key properties of N-(3-amino-2-methylpropyl)-N-ethyl-3-propoxybenzamide?
N-(3-amino-2-methylpropyl)-N-ethyl-3-propoxybenzamide has a molecular weight of 278.40 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-N-ethyl-3-propoxybenzamide is sourced from PubChem (CID 62919665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).