2-[1-(aminomethyl)cycloheptyl]oxy-N-phenylpropanamide

C17H26N2O2 — CID 65051692

IUPAC2-[1-(aminomethyl)cycloheptyl]oxy-N-phenylpropanamide
SMILESCC(OC1(CN)CCCCCC1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-14(16(20)19-15-9-5-4-6-10-15)21-17(13-18)11-7-2-3-8-12-17/h4-6,9-10,14H,2-3,7-8,11-13,18H2,1H3,(H,19,20)
InChIKeyWCEQLYRAHBLBKF-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.08
Rot. Bonds5

About 2-[1-(aminomethyl)cycloheptyl]oxy-N-phenylpropanamide

2-[1-(aminomethyl)cycloheptyl]oxy-N-phenylpropanamide (PubChem CID 65051692) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cycloheptyl]oxy-N-phenylpropanamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cycloheptyl]oxy-N-phenylpropanamide
PubChem CID65051692
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[1-(aminomethyl)cycloheptyl]oxy-N-phenylpropanamide
SMILESCC(OC1(CN)CCCCCC1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-14(16(20)19-15-9-5-4-6-10-15)21-17(13-18)11-7-2-3-8-12-17/h4-6,9-10,14H,2-3,7-8,11-13,18H2,1H3,(H,19,20)
InChIKeyWCEQLYRAHBLBKF-UHFFFAOYSA-N
XLogP3.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-aminocyclopentyl)methoxy]-N-phenylpropanamide
CID 64574375
2-[1-(aminomethyl)cycloheptyl]oxy-N-ethylpropanamide
CID 65051480
2-(1-anilino-1-oxopropan-2-yl)oxy-N-phenylpropanamide
CID 141218606
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
2-[1-(aminomethyl)cyclohexyl]oxy-N,N-diethylpropanamide
CID 65051264
[(2S)-1-anilino-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 40651443
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-phenylcyclopentane-1-carboxylate
CID 9440930
[(2S)-1-anilino-1-oxopropan-2-yl] acetate
CID 7000051
3-[1-(aminomethyl)cyclooctyl]oxybutan-2-ol
CID 103376997
2-(2-amino-2-methylpropoxy)-N-phenylpropanamide
CID 64536975
N-phenyl-2-[2-(propan-2-ylamino)ethoxy]propanamide
CID 62343791
(2R)-2-amino-N-phenylpropanamide
CID 10607114

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cycloheptyl]oxy-N-phenylpropanamide?
The IUPAC name of 2-[1-(aminomethyl)cycloheptyl]oxy-N-phenylpropanamide (CID 65051692) is 2-[1-(aminomethyl)cycloheptyl]oxy-N-phenylpropanamide.
What is the SMILES notation for 2-[1-(aminomethyl)cycloheptyl]oxy-N-phenylpropanamide?
The canonical SMILES for 2-[1-(aminomethyl)cycloheptyl]oxy-N-phenylpropanamide is CC(OC1(CN)CCCCCC1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[1-(aminomethyl)cycloheptyl]oxy-N-phenylpropanamide?
The InChIKey is WCEQLYRAHBLBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(16(20)19-15-9-5-4-6-10-15)21-17(13-18)11-7-2-3-8-12-17/h4-6,9-10,14H,2-3,7-8,11-13,18H2,1H3,(H,19,20).
What are the key properties of 2-[1-(aminomethyl)cycloheptyl]oxy-N-phenylpropanamide?
2-[1-(aminomethyl)cycloheptyl]oxy-N-phenylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cycloheptyl]oxy-N-phenylpropanamide is sourced from PubChem (CID 65051692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).