(propan-2-ylideneamino) N-(4-nonoxyphenyl)carbamate

C19H30N2O3 — CID 20872821

IUPAC(propan-2-ylideneamino) N-(4-nonoxyphenyl)carbamate
SMILESCCCCCCCCCOc1ccc(NC(=O)ON=C(C)C)cc1
InChIInChI=1S/C19H30N2O3/c1-4-5-6-7-8-9-10-15-23-18-13-11-17(12-14-18)20-19(22)24-21-16(2)3/h11-14H,4-10,15H2,1-3H3,(H,20,22)
InChIKeyJNUCPQPMMFLJDL-UHFFFAOYSA-N
MW334.46 g/mol
LogP5.76
Rot. Bonds11

About (propan-2-ylideneamino) N-(4-nonoxyphenyl)carbamate

(propan-2-ylideneamino) N-(4-nonoxyphenyl)carbamate (PubChem CID 20872821) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is (propan-2-ylideneamino) N-(4-nonoxyphenyl)carbamate.

Molecular Properties

Compound Name(propan-2-ylideneamino) N-(4-nonoxyphenyl)carbamate
PubChem CID20872821
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name(propan-2-ylideneamino) N-(4-nonoxyphenyl)carbamate
SMILESCCCCCCCCCOc1ccc(NC(=O)ON=C(C)C)cc1
InChIInChI=1S/C19H30N2O3/c1-4-5-6-7-8-9-10-15-23-18-13-11-17(12-14-18)20-19(22)24-21-16(2)3/h11-14H,4-10,15H2,1-3H3,(H,20,22)
InChIKeyJNUCPQPMMFLJDL-UHFFFAOYSA-N
XLogP5.76
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1-chloroethylideneamino) N-(4-butoxyphenyl)carbamate
CID 3372867
N-[4-[[4-[(4-hexoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
CID 126491954
4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911
N-[4-(4-pentoxybutoxy)phenyl]acetamide
CID 142679131
[(E)-(4-fluorophenyl)methylideneamino] N-(4-undecoxyphenyl)carbamate
CID 20872766
N-(4-decoxyphenyl)butanamide
CID 143303175
N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 4933763
[(E)-[4-(trifluoromethyl)phenyl]methylideneamino] N-(4-nonoxyphenyl)carbamate
CID 20872776
N-(4-hydroxyphenyl)-N'-(4-octadecoxyphenyl)propanediamide
CID 18983779
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
2-(diethylamino)ethyl N-(4-hexoxyphenyl)carbamate;hydrochloride
CID 24836482
[(E)-pyridin-3-ylmethylideneamino] N-(4-hexoxyphenyl)carbamate
CID 20872724

Frequently Asked Questions

What is the IUPAC name of (propan-2-ylideneamino) N-(4-nonoxyphenyl)carbamate?
The IUPAC name of (propan-2-ylideneamino) N-(4-nonoxyphenyl)carbamate (CID 20872821) is (propan-2-ylideneamino) N-(4-nonoxyphenyl)carbamate.
What is the SMILES notation for (propan-2-ylideneamino) N-(4-nonoxyphenyl)carbamate?
The canonical SMILES for (propan-2-ylideneamino) N-(4-nonoxyphenyl)carbamate is CCCCCCCCCOc1ccc(NC(=O)ON=C(C)C)cc1.
What is the InChIKey of (propan-2-ylideneamino) N-(4-nonoxyphenyl)carbamate?
The InChIKey is JNUCPQPMMFLJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-4-5-6-7-8-9-10-15-23-18-13-11-17(12-14-18)20-19(22)24-21-16(2)3/h11-14H,4-10,15H2,1-3H3,(H,20,22).
What are the key properties of (propan-2-ylideneamino) N-(4-nonoxyphenyl)carbamate?
(propan-2-ylideneamino) N-(4-nonoxyphenyl)carbamate has a molecular weight of 334.46 g/mol, XLogP of 5.76, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (propan-2-ylideneamino) N-(4-nonoxyphenyl)carbamate is sourced from PubChem (CID 20872821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).