N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3-methoxyphenyl)acetamide

C15H21N3O3 — CID 113060593

IUPACN-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(N(CCNC(=O)NC2CC2)C(C)=O)c1
InChIInChI=1S/C15H21N3O3/c1-11(19)18(13-4-3-5-14(10-13)21-2)9-8-16-15(20)17-12-6-7-12/h3-5,10,12H,6-9H2,1-2H3,(H2,16,17,20)
InChIKeyVQVJKKMTDZMSMB-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.51
Rot. Bonds6

About N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3-methoxyphenyl)acetamide

N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3-methoxyphenyl)acetamide (PubChem CID 113060593) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3-methoxyphenyl)acetamide
PubChem CID113060593
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(N(CCNC(=O)NC2CC2)C(C)=O)c1
InChIInChI=1S/C15H21N3O3/c1-11(19)18(13-4-3-5-14(10-13)21-2)9-8-16-15(20)17-12-6-7-12/h3-5,10,12H,6-9H2,1-2H3,(H2,16,17,20)
InChIKeyVQVJKKMTDZMSMB-UHFFFAOYSA-N
XLogP1.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113060416
N-[2-(N-acetyl-3-methoxyanilino)ethyl]butanamide
CID 113060528
1-cyclohexyl-3-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]urea
CID 113070457
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-phenylacetamide
CID 113057217
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3,5-dimethylphenyl)acetamide
CID 113058035
2-(N-acetyl-3-methoxyanilino)-N-cycloheptylacetamide
CID 113173369
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(4-fluorophenyl)acetamide
CID 113059350
N-(5-chloro-2-methoxyphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113060320
3-(N-acetyl-3-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113128918
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2-ethylphenyl)acetamide
CID 113058350
N-[2-(N-acetyl-3-chloroanilino)ethyl]-3-methoxybenzamide
CID 113059525
N-(4-acetylphenyl)-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide
CID 113061686

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3-methoxyphenyl)acetamide (CID 113060593) is N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3-methoxyphenyl)acetamide is COc1cccc(N(CCNC(=O)NC2CC2)C(C)=O)c1.
What is the InChIKey of N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is VQVJKKMTDZMSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11(19)18(13-4-3-5-14(10-13)21-2)9-8-16-15(20)17-12-6-7-12/h3-5,10,12H,6-9H2,1-2H3,(H2,16,17,20).
What are the key properties of N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3-methoxyphenyl)acetamide?
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 291.35 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 113060593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).