N-[(4-methyl-2-pentoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride

C18H29ClN2O3 — CID 119811545

IUPACN-[(4-methyl-2-pentoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
SMILESCCCCCOc1cc(C)ccc1CNC(=O)C1CNCCO1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-3-4-5-9-22-16-11-14(2)6-7-15(16)12-20-18(21)17-13-19-8-10-23-17;/h6-7,11,17,19H,3-5,8-10,12-13H2,1-2H3,(H,20,21);1H
InChIKeyYHFCJQPBLQJHAW-UHFFFAOYSA-N
MW356.89 g/mol
LogP2.59
Rot. Bonds8

About N-[(4-methyl-2-pentoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride

N-[(4-methyl-2-pentoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119811545) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is N-[(4-methyl-2-pentoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-methyl-2-pentoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119811545
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC NameN-[(4-methyl-2-pentoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
SMILESCCCCCOc1cc(C)ccc1CNC(=O)C1CNCCO1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-3-4-5-9-22-16-11-14(2)6-7-15(16)12-20-18(21)17-13-19-8-10-23-17;/h6-7,11,17,19H,3-5,8-10,12-13H2,1-2H3,(H,20,21);1H
InChIKeyYHFCJQPBLQJHAW-UHFFFAOYSA-N
XLogP2.59
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 52.59
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

N-[(4-methyl-2-phenoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119811725
N-[(2-ethylphenyl)methyl]morpholine-2-carboxamide
CID 64682849
N-[(4-methyl-2-pentoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 119339535
N-[(2-propan-2-yloxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119707554
N-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide
CID 119714378
(2S,5R)-5-(aminomethyl)-N-[(4-methyl-2-propoxyphenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120795625
N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]piperidine-3-carboxamide
CID 119339437
N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]piperidine-4-carboxamide
CID 119339713
N-octylmorpholine-2-carboxamide
CID 115567943
N-[(4-bromo-2-chlorophenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119753692
N-[[3-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 119767529
N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]morpholine-3-carboxamide
CID 119811606

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-pentoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(4-methyl-2-pentoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride (CID 119811545) is N-[(4-methyl-2-pentoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-methyl-2-pentoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-methyl-2-pentoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride is CCCCCOc1cc(C)ccc1CNC(=O)C1CNCCO1.Cl.
What is the InChIKey of N-[(4-methyl-2-pentoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is YHFCJQPBLQJHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-3-4-5-9-22-16-11-14(2)6-7-15(16)12-20-18(21)17-13-19-8-10-23-17;/h6-7,11,17,19H,3-5,8-10,12-13H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[(4-methyl-2-pentoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride?
N-[(4-methyl-2-pentoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-pentoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119811545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).