N-(3-amino-4-methylpentyl)-1-(ethylcarbamoylamino)-N-methylcyclopentane-1-carboxamide;hydrochloride

C16H33ClN4O2 — CID 119658109

IUPACN-(3-amino-4-methylpentyl)-1-(ethylcarbamoylamino)-N-methylcyclopentane-1-carboxamide;hydrochloride
SMILESCCNC(=O)NC1(C(=O)N(C)CCC(N)C(C)C)CCCC1.Cl
InChIInChI=1S/C16H32N4O2.ClH/c1-5-18-15(22)19-16(9-6-7-10-16)14(21)20(4)11-8-13(17)12(2)3;/h12-13H,5-11,17H2,1-4H3,(H2,18,19,22);1H
InChIKeyPGCAKFUTOGYJAB-UHFFFAOYSA-N
MW348.92 g/mol
LogP1.87
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-1-(ethylcarbamoylamino)-N-methylcyclopentane-1-carboxamide;hydrochloride

N-(3-amino-4-methylpentyl)-1-(ethylcarbamoylamino)-N-methylcyclopentane-1-carboxamide;hydrochloride (PubChem CID 119658109) has the molecular formula C16H33ClN4O2 and a molecular weight of 348.92 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-1-(ethylcarbamoylamino)-N-methylcyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-1-(ethylcarbamoylamino)-N-methylcyclopentane-1-carboxamide;hydrochloride
PubChem CID119658109
Molecular FormulaC16H33ClN4O2
Molecular Weight348.92 g/mol
Exact Mass348.23
IUPAC NameN-(3-amino-4-methylpentyl)-1-(ethylcarbamoylamino)-N-methylcyclopentane-1-carboxamide;hydrochloride
SMILESCCNC(=O)NC1(C(=O)N(C)CCC(N)C(C)C)CCCC1.Cl
InChIInChI=1S/C16H32N4O2.ClH/c1-5-18-15(22)19-16(9-6-7-10-16)14(21)20(4)11-8-13(17)12(2)3;/h12-13H,5-11,17H2,1-4H3,(H2,18,19,22);1H
InChIKeyPGCAKFUTOGYJAB-UHFFFAOYSA-N
XLogP1.87
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.92
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-1-(ethylcarbamoylamino)-N-methylcyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-1-(ethylcarbamoylamino)-N-methylcyclopentane-1-carboxamide;hydrochloride (CID 119658109) is N-(3-amino-4-methylpentyl)-1-(ethylcarbamoylamino)-N-methylcyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-1-(ethylcarbamoylamino)-N-methylcyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-1-(ethylcarbamoylamino)-N-methylcyclopentane-1-carboxamide;hydrochloride is CCNC(=O)NC1(C(=O)N(C)CCC(N)C(C)C)CCCC1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-1-(ethylcarbamoylamino)-N-methylcyclopentane-1-carboxamide;hydrochloride?
The InChIKey is PGCAKFUTOGYJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2.ClH/c1-5-18-15(22)19-16(9-6-7-10-16)14(21)20(4)11-8-13(17)12(2)3;/h12-13H,5-11,17H2,1-4H3,(H2,18,19,22);1H.
What are the key properties of N-(3-amino-4-methylpentyl)-1-(ethylcarbamoylamino)-N-methylcyclopentane-1-carboxamide;hydrochloride?
N-(3-amino-4-methylpentyl)-1-(ethylcarbamoylamino)-N-methylcyclopentane-1-carboxamide;hydrochloride has a molecular weight of 348.92 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-1-(ethylcarbamoylamino)-N-methylcyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119658109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).