1-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]cyclopentane-1-carboxamide

C21H33N3O3 — CID 119875616

IUPAC1-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]cyclopentane-1-carboxamide
SMILESCN(CCOc1cccc(CNC(=O)C2(N)CCCC2)c1)C1CCOCC1
InChIInChI=1S/C21H33N3O3/c1-24(18-7-12-26-13-8-18)11-14-27-19-6-4-5-17(15-19)16-23-20(25)21(22)9-2-3-10-21/h4-6,15,18H,2-3,7-14,16,22H2,1H3,(H,23,25)
InChIKeyRCODGCSPMCPQKI-UHFFFAOYSA-N
MW375.51 g/mol
LogP2.06
Rot. Bonds8

About 1-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]cyclopentane-1-carboxamide

1-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 119875616) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 1-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID119875616
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name1-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]cyclopentane-1-carboxamide
SMILESCN(CCOc1cccc(CNC(=O)C2(N)CCCC2)c1)C1CCOCC1
InChIInChI=1S/C21H33N3O3/c1-24(18-7-12-26-13-8-18)11-14-27-19-6-4-5-17(15-19)16-23-20(25)21(22)9-2-3-10-21/h4-6,15,18H,2-3,7-14,16,22H2,1H3,(H,23,25)
InChIKeyRCODGCSPMCPQKI-UHFFFAOYSA-N
XLogP2.06
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]acetamide
CID 119875630
2-amino-2-methyl-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]propanamide;dihydrochloride
CID 119875609
N'-methyl-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732796
1-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 119283211
1-(cyclopropylmethyl)-2-methyl-3-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]guanidine
CID 111868180
1-amino-N-[(3-butoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 83326258
3-[2-[methyl(oxan-4-yl)amino]ethoxy]benzohydrazide
CID 63573326
N-methyl-N-[2-[3-[(pyridin-4-ylmethylamino)methyl]phenoxy]ethyl]oxan-4-amine
CID 119113268
2-methyl-1-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]-3-prop-2-enylguanidine;hydroiodide
CID 110982432
2-methyl-1-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111006254
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]guanidine;hydroiodide
CID 111609539
1-[(4-fluorophenyl)methyl]-1,2-dimethyl-3-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]guanidine;hydroiodide
CID 111306885

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]cyclopentane-1-carboxamide (CID 119875616) is 1-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]cyclopentane-1-carboxamide is CN(CCOc1cccc(CNC(=O)C2(N)CCCC2)c1)C1CCOCC1.
What is the InChIKey of 1-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is RCODGCSPMCPQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-24(18-7-12-26-13-8-18)11-14-27-19-6-4-5-17(15-19)16-23-20(25)21(22)9-2-3-10-21/h4-6,15,18H,2-3,7-14,16,22H2,1H3,(H,23,25).
What are the key properties of 1-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]cyclopentane-1-carboxamide?
1-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 375.51 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119875616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).