2-(cyclopropylmethylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide

C16H24N2O3 — CID 119723266

IUPAC2-(cyclopropylmethylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
SMILESCOCCOc1ccc(CNC(=O)CNCC2CC2)cc1
InChIInChI=1S/C16H24N2O3/c1-20-8-9-21-15-6-4-14(5-7-15)11-18-16(19)12-17-10-13-2-3-13/h4-7,13,17H,2-3,8-12H2,1H3,(H,18,19)
InChIKeyHGHSPHJSDMTEIV-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.33
Rot. Bonds10

About 2-(cyclopropylmethylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide

2-(cyclopropylmethylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide (PubChem CID 119723266) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
PubChem CID119723266
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(cyclopropylmethylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
SMILESCOCCOc1ccc(CNC(=O)CNCC2CC2)cc1
InChIInChI=1S/C16H24N2O3/c1-20-8-9-21-15-6-4-14(5-7-15)11-18-16(19)12-17-10-13-2-3-13/h4-7,13,17H,2-3,8-12H2,1H3,(H,18,19)
InChIKeyHGHSPHJSDMTEIV-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
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-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119753123
N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 54925408
2-(cyclopropylmethylamino)-N-[(4-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 119725146
4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 119701720
N-[4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]butanamide;hydrochloride
CID 119723609
2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
CID 119901424
2-(cyclopropylmethylamino)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119678219
ethyl 4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]benzoate;hydrochloride
CID 119746512
2-[2-(4-methoxyphenoxy)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997186
2-(3,4-dimethoxyphenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55662830
2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119845098
[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid
CID 170306694

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide (CID 119723266) is 2-(cyclopropylmethylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide is COCCOc1ccc(CNC(=O)CNCC2CC2)cc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide?
The InChIKey is HGHSPHJSDMTEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-20-8-9-21-15-6-4-14(5-7-15)11-18-16(19)12-17-10-13-2-3-13/h4-7,13,17H,2-3,8-12H2,1H3,(H,18,19).
What are the key properties of 2-(cyclopropylmethylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide?
2-(cyclopropylmethylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide has a molecular weight of 292.38 g/mol, XLogP of 1.33, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 119723266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).