N-(3-amino-3-oxopropyl)-N-(2-phenylethyl)-3-propoxybenzamide

C21H26N2O3 — CID 54789581

IUPACN-(3-amino-3-oxopropyl)-N-(2-phenylethyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)N(CCC(N)=O)CCc2ccccc2)c1
InChIInChI=1S/C21H26N2O3/c1-2-15-26-19-10-6-9-18(16-19)21(25)23(14-12-20(22)24)13-11-17-7-4-3-5-8-17/h3-10,16H,2,11-15H2,1H3,(H2,22,24)
InChIKeyMHOHKHBWMYVVQH-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.04
Rot. Bonds10

About N-(3-amino-3-oxopropyl)-N-(2-phenylethyl)-3-propoxybenzamide

N-(3-amino-3-oxopropyl)-N-(2-phenylethyl)-3-propoxybenzamide (PubChem CID 54789581) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-N-(2-phenylethyl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-N-(2-phenylethyl)-3-propoxybenzamide
PubChem CID54789581
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-(3-amino-3-oxopropyl)-N-(2-phenylethyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)N(CCC(N)=O)CCc2ccccc2)c1
InChIInChI=1S/C21H26N2O3/c1-2-15-26-19-10-6-9-18(16-19)21(25)23(14-12-20(22)24)13-11-17-7-4-3-5-8-17/h3-10,16H,2,11-15H2,1H3,(H2,22,24)
InChIKeyMHOHKHBWMYVVQH-UHFFFAOYSA-N
XLogP3.04
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-3-oxopropyl)-4-(2-phenoxyethoxy)-N-(2-phenylethyl)benzamide
CID 54789845
3-butoxy-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide
CID 54790506
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-propoxybenzamide
CID 62921386
N-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride
CID 120649308
3-[[3-(2-phenylethoxy)benzoyl]amino]-N,N-dipropylbenzamide
CID 26162531
N-ethyl-N-phenyl-3-(2-phenylethoxy)benzamide
CID 17134260
N,N-dimethyl-3-propoxybenzamide
CID 28639811
3-propoxybenzamide
CID 22311435
3-(2-phenylethoxy)benzamide
CID 17135006
N-benzyl-N-methyl-3-(2-phenylethoxy)benzamide
CID 17134261
N-(2-aminoethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107493616
1-[3-(3-phenylpropoxy)phenyl]ethanone
CID 21422440

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-N-(2-phenylethyl)-3-propoxybenzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-N-(2-phenylethyl)-3-propoxybenzamide (CID 54789581) is N-(3-amino-3-oxopropyl)-N-(2-phenylethyl)-3-propoxybenzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-N-(2-phenylethyl)-3-propoxybenzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-N-(2-phenylethyl)-3-propoxybenzamide is CCCOc1cccc(C(=O)N(CCC(N)=O)CCc2ccccc2)c1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-N-(2-phenylethyl)-3-propoxybenzamide?
The InChIKey is MHOHKHBWMYVVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-2-15-26-19-10-6-9-18(16-19)21(25)23(14-12-20(22)24)13-11-17-7-4-3-5-8-17/h3-10,16H,2,11-15H2,1H3,(H2,22,24).
What are the key properties of N-(3-amino-3-oxopropyl)-N-(2-phenylethyl)-3-propoxybenzamide?
N-(3-amino-3-oxopropyl)-N-(2-phenylethyl)-3-propoxybenzamide has a molecular weight of 354.45 g/mol, XLogP of 3.04, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-N-(2-phenylethyl)-3-propoxybenzamide is sourced from PubChem (CID 54789581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).