dec-3-ynyl N-[(4-methoxybenzoyl)amino]carbamate

C19H26N2O4 — CID 6736693

IUPACdec-3-ynyl N-[(4-methoxybenzoyl)amino]carbamate
SMILESCCCCCCC#CCCOC(=O)NNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H26N2O4/c1-3-4-5-6-7-8-9-10-15-25-19(23)21-20-18(22)16-11-13-17(24-2)14-12-16/h11-14H,3-7,10,15H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyMIKZYNNCCQDMMP-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.43
Rot. Bonds8

About dec-3-ynyl N-[(4-methoxybenzoyl)amino]carbamate

dec-3-ynyl N-[(4-methoxybenzoyl)amino]carbamate (PubChem CID 6736693) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is dec-3-ynyl N-[(4-methoxybenzoyl)amino]carbamate.

Molecular Properties

Compound Namedec-3-ynyl N-[(4-methoxybenzoyl)amino]carbamate
PubChem CID6736693
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Namedec-3-ynyl N-[(4-methoxybenzoyl)amino]carbamate
SMILESCCCCCCC#CCCOC(=O)NNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H26N2O4/c1-3-4-5-6-7-8-9-10-15-25-19(23)21-20-18(22)16-11-13-17(24-2)14-12-16/h11-14H,3-7,10,15H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyMIKZYNNCCQDMMP-UHFFFAOYSA-N
XLogP3.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

oct-2-ynyl N-[(4-methoxybenzoyl)amino]carbamate
CID 6737261
4-[(4-methoxyphenyl)diazenyl]-N'-(4-octoxybenzoyl)benzohydrazide
CID 137270173
N-hexyl-4-methoxy(11C)benzamide
CID 177422178
4-methoxy-N-nonylbenzamide
CID 3557385
4-butoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 4936338
hex-3-ynyl 4-methoxybenzoate
CID 122365830
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
4-methoxy-N-pentylbenzamide
CID 3113360
icosyl 4-methoxybenzoate
CID 71438594
1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide
CID 3123941
hexadecyl N-(4-methoxyphenyl)carbamate
CID 46229876
[(4-octoxybenzoyl)amino]thiourea
CID 86177664

Frequently Asked Questions

What is the IUPAC name of dec-3-ynyl N-[(4-methoxybenzoyl)amino]carbamate?
The IUPAC name of dec-3-ynyl N-[(4-methoxybenzoyl)amino]carbamate (CID 6736693) is dec-3-ynyl N-[(4-methoxybenzoyl)amino]carbamate.
What is the SMILES notation for dec-3-ynyl N-[(4-methoxybenzoyl)amino]carbamate?
The canonical SMILES for dec-3-ynyl N-[(4-methoxybenzoyl)amino]carbamate is CCCCCCC#CCCOC(=O)NNC(=O)c1ccc(OC)cc1.
What is the InChIKey of dec-3-ynyl N-[(4-methoxybenzoyl)amino]carbamate?
The InChIKey is MIKZYNNCCQDMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-3-4-5-6-7-8-9-10-15-25-19(23)21-20-18(22)16-11-13-17(24-2)14-12-16/h11-14H,3-7,10,15H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of dec-3-ynyl N-[(4-methoxybenzoyl)amino]carbamate?
dec-3-ynyl N-[(4-methoxybenzoyl)amino]carbamate has a molecular weight of 346.43 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dec-3-ynyl N-[(4-methoxybenzoyl)amino]carbamate is sourced from PubChem (CID 6736693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).