2-(cyclopropylmethylamino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide;hydrochloride

C16H25ClN2O4 — CID 119716059

IUPAC2-(cyclopropylmethylamino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide;hydrochloride
SMILESCOc1ccc(CNC(=O)CNCC2CC2)c(OC)c1OC.Cl
InChIInChI=1S/C16H24N2O4.ClH/c1-20-13-7-6-12(15(21-2)16(13)22-3)9-18-14(19)10-17-8-11-4-5-11;/h6-7,11,17H,4-5,8-10H2,1-3H3,(H,18,19);1H
InChIKeyDPKJHLKGMKYQOP-UHFFFAOYSA-N
MW344.84 g/mol
LogP1.75
Rot. Bonds9

About 2-(cyclopropylmethylamino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide;hydrochloride (PubChem CID 119716059) has the molecular formula C16H25ClN2O4 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide;hydrochloride
PubChem CID119716059
Molecular FormulaC16H25ClN2O4
Molecular Weight344.84 g/mol
Exact Mass344.15
IUPAC Name2-(cyclopropylmethylamino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide;hydrochloride
SMILESCOc1ccc(CNC(=O)CNCC2CC2)c(OC)c1OC.Cl
InChIInChI=1S/C16H24N2O4.ClH/c1-20-13-7-6-12(15(21-2)16(13)22-3)9-18-14(19)10-17-8-11-4-5-11;/h6-7,11,17H,4-5,8-10H2,1-3H3,(H,18,19);1H
InChIKeyDPKJHLKGMKYQOP-UHFFFAOYSA-N
XLogP1.75
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethylamino)-N-[(2-methoxy-4-methylphenyl)methyl]acetamide
CID 119808693
N-cyclopropyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43430495
N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 18425632
2-(cyclopropylmethylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 119691576
N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanecarboxamide
CID 95945674
N-propan-2-yl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43400025
2-(cyclopropylmethylamino)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
CID 119767143
4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]pentanamide;hydrochloride
CID 120560098
2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119753123
(2R)-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 95279316
4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]butanamide
CID 119285338
2-(cyclopropylmethylamino)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]acetamide;hydrochloride
CID 119812552

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide;hydrochloride (CID 119716059) is 2-(cyclopropylmethylamino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide;hydrochloride is COc1ccc(CNC(=O)CNCC2CC2)c(OC)c1OC.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide;hydrochloride?
The InChIKey is DPKJHLKGMKYQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4.ClH/c1-20-13-7-6-12(15(21-2)16(13)22-3)9-18-14(19)10-17-8-11-4-5-11;/h6-7,11,17H,4-5,8-10H2,1-3H3,(H,18,19);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide;hydrochloride has a molecular weight of 344.84 g/mol, XLogP of 1.75, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119716059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).