3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]propanamide

C24H33N3O4 — CID 56581932

IUPAC3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]propanamide
SMILESCCCOc1ccc(C(C)NC(=O)CCNC(=O)N(C)Cc2ccccc2)cc1OC
InChIInChI=1S/C24H33N3O4/c1-5-15-31-21-12-11-20(16-22(21)30-4)18(2)26-23(28)13-14-25-24(29)27(3)17-19-9-7-6-8-10-19/h6-12,16,18H,5,13-15,17H2,1-4H3,(H,25,29)(H,26,28)
InChIKeySMTVSCLAOHTZNG-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.89
Rot. Bonds11

About 3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]propanamide

3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]propanamide (PubChem CID 56581932) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is 3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]propanamide
PubChem CID56581932
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]propanamide
SMILESCCCOc1ccc(C(C)NC(=O)CCNC(=O)N(C)Cc2ccccc2)cc1OC
InChIInChI=1S/C24H33N3O4/c1-5-15-31-21-12-11-20(16-22(21)30-4)18(2)26-23(28)13-14-25-24(29)27(3)17-19-9-7-6-8-10-19/h6-12,16,18H,5,13-15,17H2,1-4H3,(H,25,29)(H,26,28)
InChIKeySMTVSCLAOHTZNG-UHFFFAOYSA-N
XLogP3.89
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]propanamide with MolForge

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Related Compounds

3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide
CID 56516603
N-[3-[1-(3,4-dipropoxyphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide
CID 46807320
tert-butyl N-[3-[1-(3-methoxy-4-pentoxyphenyl)ethylamino]-3-oxopropyl]carbamate
CID 55747253
2-ethoxy-N-[2-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 55845776
3-(2-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 108789414
2-[benzyl(methyl)amino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide
CID 55824439
4-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide
CID 119288244
1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea
CID 16573334
N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 55747871
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
N-(3-amino-4-methoxyphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride
CID 119419694
N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 55747934

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]propanamide (CID 56581932) is 3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]propanamide is CCCOc1ccc(C(C)NC(=O)CCNC(=O)N(C)Cc2ccccc2)cc1OC.
What is the InChIKey of 3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]propanamide?
The InChIKey is SMTVSCLAOHTZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-5-15-31-21-12-11-20(16-22(21)30-4)18(2)26-23(28)13-14-25-24(29)27(3)17-19-9-7-6-8-10-19/h6-12,16,18H,5,13-15,17H2,1-4H3,(H,25,29)(H,26,28).
What are the key properties of 3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]propanamide?
3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]propanamide has a molecular weight of 427.55 g/mol, XLogP of 3.89, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 56581932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).