1-(diethylamino)propan-2-yl N-(4-pentoxyphenyl)carbamate;hydrochloride

C19H33ClN2O3 — CID 138399577

IUPAC1-(diethylamino)propan-2-yl N-(4-pentoxyphenyl)carbamate;hydrochloride
SMILESCCCCCOc1ccc(NC(=O)OC(C)CN(CC)CC)cc1.Cl
InChIInChI=1S/C19H32N2O3.ClH/c1-5-8-9-14-23-18-12-10-17(11-13-18)20-19(22)24-16(4)15-21(6-2)7-3;/h10-13,16H,5-9,14-15H2,1-4H3,(H,20,22);1H
InChIKeyKVGGMQPUXXUKMM-UHFFFAOYSA-N
MW372.94 g/mol
LogP4.96
Rot. Bonds11

About 1-(diethylamino)propan-2-yl N-(4-pentoxyphenyl)carbamate;hydrochloride

1-(diethylamino)propan-2-yl N-(4-pentoxyphenyl)carbamate;hydrochloride (PubChem CID 138399577) has the molecular formula C19H33ClN2O3 and a molecular weight of 372.94 g/mol. Its IUPAC name is 1-(diethylamino)propan-2-yl N-(4-pentoxyphenyl)carbamate;hydrochloride.

Molecular Properties

Compound Name1-(diethylamino)propan-2-yl N-(4-pentoxyphenyl)carbamate;hydrochloride
PubChem CID138399577
Molecular FormulaC19H33ClN2O3
Molecular Weight372.94 g/mol
Exact Mass372.22
IUPAC Name1-(diethylamino)propan-2-yl N-(4-pentoxyphenyl)carbamate;hydrochloride
SMILESCCCCCOc1ccc(NC(=O)OC(C)CN(CC)CC)cc1.Cl
InChIInChI=1S/C19H32N2O3.ClH/c1-5-8-9-14-23-18-12-10-17(11-13-18)20-19(22)24-16(4)15-21(6-2)7-3;/h10-13,16H,5-9,14-15H2,1-4H3,(H,20,22);1H
InChIKeyKVGGMQPUXXUKMM-UHFFFAOYSA-N
XLogP4.96
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.94
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(diethylamino)propan-2-yl N-(4-pentoxyphenyl)carbamate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(diethylamino)ethyl N-(4-hexoxyphenyl)carbamate;hydrochloride
CID 24836482
[4-[[4-(butan-2-yloxycarbonylamino)phenyl]carbamoylamino]phenyl] 4-dodecoxybenzoate
CID 45256954
[(2R)-1-piperidin-1-ylpropan-2-yl] N-(4-heptoxyphenyl)carbamate
CID 101362582
4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911
1-(4-butoxyphenyl)-3-methylurea
CID 127511148
N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide
CID 4949915
N-[4-(4-pentoxybutoxy)phenyl]acetamide
CID 142679131
(propan-2-ylideneamino) N-(4-nonoxyphenyl)carbamate
CID 20872821
4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340246
N-(4-decoxyphenyl)butanamide
CID 143303175
[1-(diethylamino)-3-piperidin-1-ylpropan-2-yl] N-(3-pentoxyphenyl)carbamate;dihydrochloride
CID 13127177
4-[dodecyl(ethyl)amino]butyl N-[4-[4-[dodecyl(ethyl)amino]butoxycarbonylamino]phenyl]carbamate
CID 139953680

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)propan-2-yl N-(4-pentoxyphenyl)carbamate;hydrochloride?
The IUPAC name of 1-(diethylamino)propan-2-yl N-(4-pentoxyphenyl)carbamate;hydrochloride (CID 138399577) is 1-(diethylamino)propan-2-yl N-(4-pentoxyphenyl)carbamate;hydrochloride.
What is the SMILES notation for 1-(diethylamino)propan-2-yl N-(4-pentoxyphenyl)carbamate;hydrochloride?
The canonical SMILES for 1-(diethylamino)propan-2-yl N-(4-pentoxyphenyl)carbamate;hydrochloride is CCCCCOc1ccc(NC(=O)OC(C)CN(CC)CC)cc1.Cl.
What is the InChIKey of 1-(diethylamino)propan-2-yl N-(4-pentoxyphenyl)carbamate;hydrochloride?
The InChIKey is KVGGMQPUXXUKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3.ClH/c1-5-8-9-14-23-18-12-10-17(11-13-18)20-19(22)24-16(4)15-21(6-2)7-3;/h10-13,16H,5-9,14-15H2,1-4H3,(H,20,22);1H.
What are the key properties of 1-(diethylamino)propan-2-yl N-(4-pentoxyphenyl)carbamate;hydrochloride?
1-(diethylamino)propan-2-yl N-(4-pentoxyphenyl)carbamate;hydrochloride has a molecular weight of 372.94 g/mol, XLogP of 4.96, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)propan-2-yl N-(4-pentoxyphenyl)carbamate;hydrochloride is sourced from PubChem (CID 138399577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).