N-cyclopropyl-2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]acetamide

C16H24N2O3 — CID 26005258

IUPACN-cyclopropyl-2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]acetamide
SMILESCc1cccc(OC[C@@H](O)CN(C)CC(=O)NC2CC2)c1
InChIInChI=1S/C16H24N2O3/c1-12-4-3-5-15(8-12)21-11-14(19)9-18(2)10-16(20)17-13-6-7-13/h3-5,8,13-14,19H,6-7,9-11H2,1-2H3,(H,17,20)/t14-/m0/s1
InChIKeyHQAGSDPJORFMSO-AWEZNQCLSA-N
MW292.38 g/mol
LogP0.95
Rot. Bonds8

About N-cyclopropyl-2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]acetamide

N-cyclopropyl-2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]acetamide (PubChem CID 26005258) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-cyclopropyl-2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]acetamide
PubChem CID26005258
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-cyclopropyl-2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]acetamide
SMILESCc1cccc(OC[C@@H](O)CN(C)CC(=O)NC2CC2)c1
InChIInChI=1S/C16H24N2O3/c1-12-4-3-5-15(8-12)21-11-14(19)9-18(2)10-16(20)17-13-6-7-13/h3-5,8,13-14,19H,6-7,9-11H2,1-2H3,(H,17,20)/t14-/m0/s1
InChIKeyHQAGSDPJORFMSO-AWEZNQCLSA-N
XLogP0.95
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide
CID 32531014
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-phenylacetamide
CID 110888449
2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
CID 110911248
N-cyclopropyl-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 62015546
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(4-methylcyclohexyl)acetamide
CID 62013818
1-[methyl(oxan-2-ylmethyl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 110902606
N-(4-hydroxycyclohexyl)-2-(3-methylphenoxy)acetamide
CID 17453727
(2R)-1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 94391448
1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 117068437
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-propan-2-ylamino]acetamide
CID 110882260
N-[4-[[(2S)-1-(3-methylphenoxy)propan-2-yl]amino]cyclohexyl]acetamide
CID 99632956
2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 78831974

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]acetamide (CID 26005258) is N-cyclopropyl-2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]acetamide is Cc1cccc(OC[C@@H](O)CN(C)CC(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]acetamide?
The InChIKey is HQAGSDPJORFMSO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-4-3-5-15(8-12)21-11-14(19)9-18(2)10-16(20)17-13-6-7-13/h3-5,8,13-14,19H,6-7,9-11H2,1-2H3,(H,17,20)/t14-/m0/s1.
What are the key properties of N-cyclopropyl-2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]acetamide?
N-cyclopropyl-2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]acetamide has a molecular weight of 292.38 g/mol, XLogP of 0.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]acetamide is sourced from PubChem (CID 26005258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).