4-amino-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]butanamide

C18H28N2O3 — CID 119288180

IUPAC4-amino-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]butanamide
SMILESCOc1cc(C(C)NC(=O)CCCN)ccc1OC1CCCC1
InChIInChI=1S/C18H28N2O3/c1-13(20-18(21)8-5-11-19)14-9-10-16(17(12-14)22-2)23-15-6-3-4-7-15/h9-10,12-13,15H,3-8,11,19H2,1-2H3,(H,20,21)
InChIKeyGAHFPQRFBMAYPC-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.93
Rot. Bonds8

About 4-amino-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]butanamide

4-amino-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]butanamide (PubChem CID 119288180) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 4-amino-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]butanamide
PubChem CID119288180
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name4-amino-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]butanamide
SMILESCOc1cc(C(C)NC(=O)CCCN)ccc1OC1CCCC1
InChIInChI=1S/C18H28N2O3/c1-13(20-18(21)8-5-11-19)14-9-10-16(17(12-14)22-2)23-15-6-3-4-7-15/h9-10,12-13,15H,3-8,11,19H2,1-2H3,(H,20,21)
InChIKeyGAHFPQRFBMAYPC-UHFFFAOYSA-N
XLogP2.93
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 61166957
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 55745736
2-(4-acetyl-2-methoxyphenoxy)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]acetamide
CID 55746116
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 55843868
4-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide
CID 119288244
N-[(1S)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 94028872
(E)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 55745702
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119721176
4-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119267799
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide
CID 119294135
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119288176
5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120684986

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]butanamide?
The IUPAC name of 4-amino-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]butanamide (CID 119288180) is 4-amino-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 4-amino-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for 4-amino-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]butanamide is COc1cc(C(C)NC(=O)CCCN)ccc1OC1CCCC1.
What is the InChIKey of 4-amino-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]butanamide?
The InChIKey is GAHFPQRFBMAYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(20-18(21)8-5-11-19)14-9-10-16(17(12-14)22-2)23-15-6-3-4-7-15/h9-10,12-13,15H,3-8,11,19H2,1-2H3,(H,20,21).
What are the key properties of 4-amino-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]butanamide?
4-amino-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]butanamide has a molecular weight of 320.43 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 119288180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).