3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride

C19H31ClN2O3 — CID 119754336

IUPAC3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCCCCOCCOCc1cccc(NC(=O)C2CCC(N)C2)c1.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-2-3-9-23-10-11-24-14-15-5-4-6-18(12-15)21-19(22)16-7-8-17(20)13-16;/h4-6,12,16-17H,2-3,7-11,13-14,20H2,1H3,(H,21,22);1H
InChIKeyRTPHBZPUDZALPQ-UHFFFAOYSA-N
MW370.92 g/mol
LogP3.51
Rot. Bonds10

About 3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119754336) has the molecular formula C19H31ClN2O3 and a molecular weight of 370.92 g/mol. Its IUPAC name is 3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119754336
Molecular FormulaC19H31ClN2O3
Molecular Weight370.92 g/mol
Exact Mass370.20
IUPAC Name3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCCCCOCCOCc1cccc(NC(=O)C2CCC(N)C2)c1.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-2-3-9-23-10-11-24-14-15-5-4-6-18(12-15)21-19(22)16-7-8-17(20)13-16;/h4-6,12,16-17H,2-3,7-11,13-14,20H2,1H3,(H,21,22);1H
InChIKeyRTPHBZPUDZALPQ-UHFFFAOYSA-N
XLogP3.51
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[3-(2-butoxyethoxymethyl)phenyl]propanamide;hydrochloride
CID 119306540
N-[3-(2-butoxyethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119754344
methyl 2-[[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]methylsulfanyl]acetate
CID 119775531
3-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119722895
methyl 3-[[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]methylsulfanyl]propanoate;hydrochloride
CID 119775578
3-amino-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119732638
3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]benzamide
CID 119754343
3-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]cyclopentane-1-carboxamide
CID 119739954
3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119685392
3-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]cyclopentane-1-carboxamide
CID 119801057
cis-(1S,3R)-3-amino-N-(3-phenylphenyl)cyclopentane-1-carboxamide
CID 56906171
3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide
CID 119732249

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride (CID 119754336) is 3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride is CCCCOCCOCc1cccc(NC(=O)C2CCC(N)C2)c1.Cl.
What is the InChIKey of 3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is RTPHBZPUDZALPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3.ClH/c1-2-3-9-23-10-11-24-14-15-5-4-6-18(12-15)21-19(22)16-7-8-17(20)13-16;/h4-6,12,16-17H,2-3,7-11,13-14,20H2,1H3,(H,21,22);1H.
What are the key properties of 3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 370.92 g/mol, XLogP of 3.51, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119754336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).