2-[3-(cyclopropylmethoxymethyl)anilino]-N-(ethylcarbamoyl)propanamide

C17H25N3O3 — CID 47079954

IUPAC2-[3-(cyclopropylmethoxymethyl)anilino]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1cccc(COCC2CC2)c1
InChIInChI=1S/C17H25N3O3/c1-3-18-17(22)20-16(21)12(2)19-15-6-4-5-14(9-15)11-23-10-13-7-8-13/h4-6,9,12-13,19H,3,7-8,10-11H2,1-2H3,(H2,18,20,21,22)
InChIKeyAZVSSWOMBVETCH-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.26
Rot. Bonds8

About 2-[3-(cyclopropylmethoxymethyl)anilino]-N-(ethylcarbamoyl)propanamide

2-[3-(cyclopropylmethoxymethyl)anilino]-N-(ethylcarbamoyl)propanamide (PubChem CID 47079954) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethoxymethyl)anilino]-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[3-(cyclopropylmethoxymethyl)anilino]-N-(ethylcarbamoyl)propanamide
PubChem CID47079954
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name2-[3-(cyclopropylmethoxymethyl)anilino]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1cccc(COCC2CC2)c1
InChIInChI=1S/C17H25N3O3/c1-3-18-17(22)20-16(21)12(2)19-15-6-4-5-14(9-15)11-23-10-13-7-8-13/h4-6,9,12-13,19H,3,7-8,10-11H2,1-2H3,(H2,18,20,21,22)
InChIKeyAZVSSWOMBVETCH-UHFFFAOYSA-N
XLogP2.26
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(cyclopropylmethoxymethyl)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 110907808
(2R)-N-(ethylcarbamoyl)-2-[3-[(4-fluorophenyl)methoxy]anilino]propanamide
CID 35627370
1-[3-(cyclopropylmethoxymethyl)phenyl]-3-hexylurea
CID 60589978
2-(3-ethylanilino)-N-(methylcarbamoyl)propanamide
CID 43084470
4-amino-N-[3-(cyclopropylmethoxymethyl)phenyl]pentanamide
CID 120561459
N-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide
CID 43123150
2-(3,4-dicyanoanilino)-N-(ethylcarbamoyl)propanamide
CID 107789245
(2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(ethylcarbamoyl)propanamide
CID 25408683
N-(ethylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
CID 17443888
N-(3-chlorophenyl)-2-[3-(oxan-2-ylmethoxymethyl)anilino]propanamide
CID 55913856
(2R)-N-carbamoyl-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide
CID 94643107
1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 48644122

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylmethoxymethyl)anilino]-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-[3-(cyclopropylmethoxymethyl)anilino]-N-(ethylcarbamoyl)propanamide (CID 47079954) is 2-[3-(cyclopropylmethoxymethyl)anilino]-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-[3-(cyclopropylmethoxymethyl)anilino]-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-[3-(cyclopropylmethoxymethyl)anilino]-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)Nc1cccc(COCC2CC2)c1.
What is the InChIKey of 2-[3-(cyclopropylmethoxymethyl)anilino]-N-(ethylcarbamoyl)propanamide?
The InChIKey is AZVSSWOMBVETCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-18-17(22)20-16(21)12(2)19-15-6-4-5-14(9-15)11-23-10-13-7-8-13/h4-6,9,12-13,19H,3,7-8,10-11H2,1-2H3,(H2,18,20,21,22).
What are the key properties of 2-[3-(cyclopropylmethoxymethyl)anilino]-N-(ethylcarbamoyl)propanamide?
2-[3-(cyclopropylmethoxymethyl)anilino]-N-(ethylcarbamoyl)propanamide has a molecular weight of 319.41 g/mol, XLogP of 2.26, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylmethoxymethyl)anilino]-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 47079954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).