5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxybenzamide

C14H20N2O3 — CID 114755608

IUPAC5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)NCC1(CCO)CC1
InChIInChI=1S/C14H20N2O3/c1-19-12-3-2-10(15)8-11(12)13(18)16-9-14(4-5-14)6-7-17/h2-3,8,17H,4-7,9,15H2,1H3,(H,16,18)
InChIKeyAKNFRUDXJNZHCG-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.17
Rot. Bonds6

About 5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxybenzamide

5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxybenzamide (PubChem CID 114755608) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxybenzamide
PubChem CID114755608
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)NCC1(CCO)CC1
InChIInChI=1S/C14H20N2O3/c1-19-12-3-2-10(15)8-11(12)13(18)16-9-14(4-5-14)6-7-17/h2-3,8,17H,4-7,9,15H2,1H3,(H,16,18)
InChIKeyAKNFRUDXJNZHCG-UHFFFAOYSA-N
XLogP1.17
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-methoxy-N-[(1-methylcyclopentyl)methyl]benzamide
CID 55262165
5-amino-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114755616
5-amino-2-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114755659
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide
CID 114758801
N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethyl-2-methoxybenzamide
CID 115271280
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 114751337
5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840078
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methoxy-4-methylbenzamide
CID 114751787
5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
CID 55083724
5-amino-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide
CID 106113235
5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 107229452
5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
CID 114755595

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxybenzamide?
The IUPAC name of 5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxybenzamide (CID 114755608) is 5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxybenzamide.
What is the SMILES notation for 5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxybenzamide?
The canonical SMILES for 5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxybenzamide is COc1ccc(N)cc1C(=O)NCC1(CCO)CC1.
What is the InChIKey of 5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxybenzamide?
The InChIKey is AKNFRUDXJNZHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-12-3-2-10(15)8-11(12)13(18)16-9-14(4-5-14)6-7-17/h2-3,8,17H,4-7,9,15H2,1H3,(H,16,18).
What are the key properties of 5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxybenzamide?
5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxybenzamide has a molecular weight of 264.32 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 114755608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).