butyl N-[6-(butoxycarbonylamino)hexyl]carbamate

C16H32N2O4 — CID 4144629

IUPACbutyl N-[6-(butoxycarbonylamino)hexyl]carbamate
SMILESCCCCOC(=O)NCCCCCCNC(=O)OCCCC
InChIInChI=1S/C16H32N2O4/c1-3-5-13-21-15(19)17-11-9-7-8-10-12-18-16(20)22-14-6-4-2/h3-14H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyILPOVPZIWGHRLX-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.60
Rot. Bonds13

About butyl N-[6-(butoxycarbonylamino)hexyl]carbamate

butyl N-[6-(butoxycarbonylamino)hexyl]carbamate (PubChem CID 4144629) has the molecular formula C16H32N2O4 and a molecular weight of 316.44 g/mol. Its IUPAC name is butyl N-[6-(butoxycarbonylamino)hexyl]carbamate.

Molecular Properties

Compound Namebutyl N-[6-(butoxycarbonylamino)hexyl]carbamate
PubChem CID4144629
Molecular FormulaC16H32N2O4
Molecular Weight316.44 g/mol
Exact Mass316.24
IUPAC Namebutyl N-[6-(butoxycarbonylamino)hexyl]carbamate
SMILESCCCCOC(=O)NCCCCCCNC(=O)OCCCC
InChIInChI=1S/C16H32N2O4/c1-3-5-13-21-15(19)17-11-9-7-8-10-12-18-16(20)22-14-6-4-2/h3-14H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyILPOVPZIWGHRLX-UHFFFAOYSA-N
XLogP3.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.60
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

Carbamic acid, N,N'-1,6-hexanediylbis-, C,C'-diethyl ester
CID 76472
2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexyl]carbamate
CID 542364
Hexcarbacholine Bromide
CID 71495
Butyl-carbamic acid 12-butylcarbamoyloxy-dodecyl ester
CID 20186976
Butyl-carbamic acid 10-butylcarbamoyloxy-decyl ester
CID 44392437
Butyl-carbamic acid 5-butylcarbamoyloxy-pentyl ester
CID 44392425
Butyl-carbamic acid 8-butylcarbamoyloxy-octyl ester
CID 44392426
Butyl-carbamic acid 14-butylcarbamoyloxy-tetradecyl ester
CID 44392446
Butyl-carbamic acid 16-butylcarbamoyloxy-hexadecyl ester
CID 44392449
1,6-Bis(octoxycarbonylamino)hexane
CID 14793287
Carbamic acid, butyl-, butyl ester
CID 10374900
2,2,19,19-Tetramethyl-5,16-dioxa-7,14-diaza-2,19-diazoniaicosa-6,14-diene-6,15-bis(olate)--hydrogen iodide (1/2)
CID 121260

Frequently Asked Questions

What is the IUPAC name of butyl N-[6-(butoxycarbonylamino)hexyl]carbamate?
The IUPAC name of butyl N-[6-(butoxycarbonylamino)hexyl]carbamate (CID 4144629) is butyl N-[6-(butoxycarbonylamino)hexyl]carbamate.
What is the SMILES notation for butyl N-[6-(butoxycarbonylamino)hexyl]carbamate?
The canonical SMILES for butyl N-[6-(butoxycarbonylamino)hexyl]carbamate is CCCCOC(=O)NCCCCCCNC(=O)OCCCC.
What is the InChIKey of butyl N-[6-(butoxycarbonylamino)hexyl]carbamate?
The InChIKey is ILPOVPZIWGHRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O4/c1-3-5-13-21-15(19)17-11-9-7-8-10-12-18-16(20)22-14-6-4-2/h3-14H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of butyl N-[6-(butoxycarbonylamino)hexyl]carbamate?
butyl N-[6-(butoxycarbonylamino)hexyl]carbamate has a molecular weight of 316.44 g/mol, XLogP of 3.60, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[6-(butoxycarbonylamino)hexyl]carbamate is sourced from PubChem (CID 4144629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).