N-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbenzamide

C15H22N2O3 — CID 43572908

IUPACN-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)N(CCO)C(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-11(2)17(7-8-18)14(19)10-16-15(20)13-6-4-5-12(3)9-13/h4-6,9,11,18H,7-8,10H2,1-3H3,(H,16,20)
InChIKeyDUYWZZPYGQQRER-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.95
Rot. Bonds6

About N-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbenzamide

N-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbenzamide (PubChem CID 43572908) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbenzamide
PubChem CID43572908
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)N(CCO)C(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-11(2)17(7-8-18)14(19)10-16-15(20)13-6-4-5-12(3)9-13/h4-6,9,11,18H,7-8,10H2,1-3H3,(H,16,20)
InChIKeyDUYWZZPYGQQRER-UHFFFAOYSA-N
XLogP0.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-hydroxypropyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide
CID 62334553
N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide
CID 107202831
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
4-[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 43359941
2-hydroxyethyl 2-[(3-methylbenzoyl)amino]acetate
CID 70795612
N-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 34675021
3-methyl-N-phenacylbenzamide
CID 3417494
4-hydroxy-2-[[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 61242923
N,N-bis(2-hydroxyethyl)-3-methylbenzamide
CID 60653227
N-(2-hydroxyethyl)-3-(3-methylphenoxy)-N-propan-2-ylpropanamide
CID 43573145
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102915094
N-(2-aminopropyl)-3-methylbenzamide
CID 63733332

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbenzamide (CID 43572908) is N-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC(=O)N(CCO)C(C)C)c1.
What is the InChIKey of N-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbenzamide?
The InChIKey is DUYWZZPYGQQRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)17(7-8-18)14(19)10-16-15(20)13-6-4-5-12(3)9-13/h4-6,9,11,18H,7-8,10H2,1-3H3,(H,16,20).
What are the key properties of N-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbenzamide?
N-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbenzamide has a molecular weight of 278.35 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 43572908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).