2-(cyclopropylmethylamino)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]acetamide;hydrochloride

C18H27ClN2O3 — CID 119793780

IUPAC2-(cyclopropylmethylamino)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)Nc1ccc(OC2CCCCC2O)cc1
InChIInChI=1S/C18H26N2O3.ClH/c21-16-3-1-2-4-17(16)23-15-9-7-14(8-10-15)20-18(22)12-19-11-13-5-6-13;/h7-10,13,16-17,19,21H,1-6,11-12H2,(H,20,22);1H
InChIKeyMIPQTLAVTMHORE-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.73
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]acetamide;hydrochloride (PubChem CID 119793780) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]acetamide;hydrochloride
PubChem CID119793780
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Name2-(cyclopropylmethylamino)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)Nc1ccc(OC2CCCCC2O)cc1
InChIInChI=1S/C18H26N2O3.ClH/c21-16-3-1-2-4-17(16)23-15-9-7-14(8-10-15)20-18(22)12-19-11-13-5-6-13;/h7-10,13,16-17,19,21H,1-6,11-12H2,(H,20,22);1H
InChIKeyMIPQTLAVTMHORE-UHFFFAOYSA-N
XLogP2.73
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(cyclopropylmethylamino)-N-(4-propoxyphenyl)acetamide
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2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
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2-(cyclopropylmethylamino)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
CID 119669315
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N-[4-(cyanomethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 61248513
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119700150
2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 60842957
4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride
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N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-pyridin-3-ylacetamide
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CID 119329332

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]acetamide;hydrochloride (CID 119793780) is 2-(cyclopropylmethylamino)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]acetamide;hydrochloride is Cl.O=C(CNCC1CC1)Nc1ccc(OC2CCCCC2O)cc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]acetamide;hydrochloride?
The InChIKey is MIPQTLAVTMHORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c21-16-3-1-2-4-17(16)23-15-9-7-14(8-10-15)20-18(22)12-19-11-13-5-6-13;/h7-10,13,16-17,19,21H,1-6,11-12H2,(H,20,22);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]acetamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]acetamide;hydrochloride is sourced from PubChem (CID 119793780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).