N-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetamide

C13H18N2O3 — CID 43329464

IUPACN-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetamide
SMILESCOc1cc(CNCC(=O)NC2CC2)ccc1O
InChIInChI=1S/C13H18N2O3/c1-18-12-6-9(2-5-11(12)16)7-14-8-13(17)15-10-3-4-10/h2,5-6,10,14,16H,3-4,7-8H2,1H3,(H,15,17)
InChIKeyOPRYSMJWALFFPZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.77
Rot. Bonds6

About N-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetamide

N-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetamide (PubChem CID 43329464) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetamide
PubChem CID43329464
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetamide
SMILESCOc1cc(CNCC(=O)NC2CC2)ccc1O
InChIInChI=1S/C13H18N2O3/c1-18-12-6-9(2-5-11(12)16)7-14-8-13(17)15-10-3-4-10/h2,5-6,10,14,16H,3-4,7-8H2,1H3,(H,15,17)
InChIKeyOPRYSMJWALFFPZ-UHFFFAOYSA-N
XLogP0.77
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-cyclopropylethyl)cyclohexyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 12004095
N-cyclopropyl-2-[(3,4-dimethylphenyl)methylamino]acetamide
CID 43434265
2-[[2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetyl]amino]acetic acid
CID 82364245
2-(4-hydroxy-3-methoxyphenyl)-N-(4-pentylcyclohexyl)acetamide
CID 12004061
N-cyclopropyl-2-[(2,5-dimethoxyphenyl)methylamino]acetamide
CID 43401917
N-cyclopropyl-3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanamide
CID 62626635
N-cyclopropyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43430495
4-[[(4-aminocyclohexyl)amino]methyl]-2-methoxyphenol
CID 62312790
2-methoxy-4-[(thian-4-ylmethylamino)methyl]phenol
CID 115978573
N-cyclopropyl-2-[(4-iodophenyl)methylamino]acetamide
CID 65477363
N-cyclohexyl-2-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methylamino]acetamide
CID 119129107
N-cycloheptyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide
CID 62989722

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetamide (CID 43329464) is N-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetamide is COc1cc(CNCC(=O)NC2CC2)ccc1O.
What is the InChIKey of N-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetamide?
The InChIKey is OPRYSMJWALFFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-18-12-6-9(2-5-11(12)16)7-14-8-13(17)15-10-3-4-10/h2,5-6,10,14,16H,3-4,7-8H2,1H3,(H,15,17).
What are the key properties of N-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetamide?
N-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetamide has a molecular weight of 250.30 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetamide is sourced from PubChem (CID 43329464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).