N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride

C19H30ClN3O3 — CID 119661064

IUPACN-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1cccc(NC(=O)C2CCCO2)c1.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-13(2)16(20)9-10-22(3)19(24)14-6-4-7-15(12-14)21-18(23)17-8-5-11-25-17;/h4,6-7,12-13,16-17H,5,8-11,20H2,1-3H3,(H,21,23);1H
InChIKeyPVPBDOWUDAYZKU-UHFFFAOYSA-N
MW383.92 g/mol
LogP2.67
Rot. Bonds7

About N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride

N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 119661064) has the molecular formula C19H30ClN3O3 and a molecular weight of 383.92 g/mol. Its IUPAC name is N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride
PubChem CID119661064
Molecular FormulaC19H30ClN3O3
Molecular Weight383.92 g/mol
Exact Mass383.20
IUPAC NameN-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1cccc(NC(=O)C2CCCO2)c1.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-13(2)16(20)9-10-22(3)19(24)14-6-4-7-15(12-14)21-18(23)17-8-5-11-25-17;/h4,6-7,12-13,16-17H,5,8-11,20H2,1-3H3,(H,21,23);1H
InChIKeyPVPBDOWUDAYZKU-UHFFFAOYSA-N
XLogP2.67
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylpentyl)-3-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 119659590
N-(3-amino-4-methylpentyl)-3-(dimethylcarbamoylamino)-N-methylbenzamide;hydrochloride
CID 119660112
N-[3-[2-(methanesulfonamido)ethyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 75463883
N-(3-amino-4-methylpentyl)-N-methyl-3-(propanoylamino)benzamide
CID 119659582
(2S)-N-[3-[[4-(dimethylamino)phenyl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 35745859
(2S)-N-[3-[furan-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 94020588
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119305205
(2R)-N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 32800330
N-[3-[(4-cyanophenyl)methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 134004304
N-[3-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119527172
N-[3-[methyl-[(3-methyl-4-pyridinyl)methyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 56758407
N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 42890216

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride (CID 119661064) is N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)c1cccc(NC(=O)C2CCCO2)c1.Cl.
What is the InChIKey of N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is PVPBDOWUDAYZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3.ClH/c1-13(2)16(20)9-10-22(3)19(24)14-6-4-7-15(12-14)21-18(23)17-8-5-11-25-17;/h4,6-7,12-13,16-17H,5,8-11,20H2,1-3H3,(H,21,23);1H.
What are the key properties of N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride?
N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119661064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).