3-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride

C18H29ClN2O2 — CID 119811561

IUPAC3-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCCC(C)Oc1cc(C)ccc1CNC(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-4-13(3)22-17-9-12(2)5-6-15(17)11-20-18(21)14-7-8-16(19)10-14;/h5-6,9,13-14,16H,4,7-8,10-11,19H2,1-3H3,(H,20,21);1H
InChIKeyDLGZINUOLVVYKV-UHFFFAOYSA-N
MW340.90 g/mol
LogP3.34
Rot. Bonds6

About 3-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119811561) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is 3-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119811561
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC Name3-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCCC(C)Oc1cc(C)ccc1CNC(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-4-13(3)22-17-9-12(2)5-6-15(17)11-20-18(21)14-7-8-16(19)10-14;/h5-6,9,13-14,16H,4,7-8,10-11,19H2,1-3H3,(H,20,21);1H
InChIKeyDLGZINUOLVVYKV-UHFFFAOYSA-N
XLogP3.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119811167
N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110016193
3-amino-N-[(2-methoxy-4-methylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119808680
N-[(2-butan-2-yloxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119339576
cis-(1R,3S)-3-amino-N-[[4-methyl-2-[(3R)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide
CID 124697586
N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119811574
N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]piperidine-4-carboxamide
CID 119339701
2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120795636
2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120992363
4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]pentanamide
CID 120563702
3-amino-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]cyclohexane-1-carboxamide
CID 119812541
4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]butanamide
CID 119339581

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride (CID 119811561) is 3-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride is CCC(C)Oc1cc(C)ccc1CNC(=O)C1CCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is DLGZINUOLVVYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-4-13(3)22-17-9-12(2)5-6-15(17)11-20-18(21)14-7-8-16(19)10-14;/h5-6,9,13-14,16H,4,7-8,10-11,19H2,1-3H3,(H,20,21);1H.
What are the key properties of 3-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119811561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).