2-(cyclopropylmethylamino)-N-[3-(3-methoxyphenoxy)propyl]acetamide

C16H24N2O3 — CID 119797671

IUPAC2-(cyclopropylmethylamino)-N-[3-(3-methoxyphenoxy)propyl]acetamide
SMILESCOc1cccc(OCCCNC(=O)CNCC2CC2)c1
InChIInChI=1S/C16H24N2O3/c1-20-14-4-2-5-15(10-14)21-9-3-8-18-16(19)12-17-11-13-6-7-13/h2,4-5,10,13,17H,3,6-9,11-12H2,1H3,(H,18,19)
InChIKeyRTVCBLUWPIPCKG-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.58
Rot. Bonds10

About 2-(cyclopropylmethylamino)-N-[3-(3-methoxyphenoxy)propyl]acetamide

2-(cyclopropylmethylamino)-N-[3-(3-methoxyphenoxy)propyl]acetamide (PubChem CID 119797671) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[3-(3-methoxyphenoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[3-(3-methoxyphenoxy)propyl]acetamide
PubChem CID119797671
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(cyclopropylmethylamino)-N-[3-(3-methoxyphenoxy)propyl]acetamide
SMILESCOc1cccc(OCCCNC(=O)CNCC2CC2)c1
InChIInChI=1S/C16H24N2O3/c1-20-14-4-2-5-15(10-14)21-9-3-8-18-16(19)12-17-11-13-6-7-13/h2,4-5,10,13,17H,3,6-9,11-12H2,1H3,(H,18,19)
InChIKeyRTVCBLUWPIPCKG-UHFFFAOYSA-N
XLogP1.58
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylmethylamino)-N-(3-phenoxypropyl)acetamide
CID 62380963
2-(cyclopropylmethylamino)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119678219
2-(cyclopropylmethylamino)-N-[3-(2-methylphenoxy)propyl]acetamide;hydrochloride
CID 119772272
1-[3-(cyclopropylmethoxy)propyl]-3-[3-(3-methoxyphenoxy)propyl]-2-methylguanidine
CID 111797532
N-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119797678
4-(3-methoxyphenoxy)-N-pentylbutanamide
CID 110486945
2-(cyclopropylmethylamino)-N-[3-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 119723471
N-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide
CID 113099793
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methoxyphenyl)acetamide
CID 46399940
2-(cyclopropylmethylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119742933
3-(cyclohexylcarbamoylamino)-N-[2-(3-methoxyphenoxy)ethyl]propanamide
CID 46413738

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(3-methoxyphenoxy)propyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(3-methoxyphenoxy)propyl]acetamide (CID 119797671) is 2-(cyclopropylmethylamino)-N-[3-(3-methoxyphenoxy)propyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[3-(3-methoxyphenoxy)propyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[3-(3-methoxyphenoxy)propyl]acetamide is COc1cccc(OCCCNC(=O)CNCC2CC2)c1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[3-(3-methoxyphenoxy)propyl]acetamide?
The InChIKey is RTVCBLUWPIPCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-20-14-4-2-5-15(10-14)21-9-3-8-18-16(19)12-17-11-13-6-7-13/h2,4-5,10,13,17H,3,6-9,11-12H2,1H3,(H,18,19).
What are the key properties of 2-(cyclopropylmethylamino)-N-[3-(3-methoxyphenoxy)propyl]acetamide?
2-(cyclopropylmethylamino)-N-[3-(3-methoxyphenoxy)propyl]acetamide has a molecular weight of 292.38 g/mol, XLogP of 1.58, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[3-(3-methoxyphenoxy)propyl]acetamide is sourced from PubChem (CID 119797671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).