2-[methyl(pentyl)amino]ethyl N-[4-[2-[methyl(pentyl)amino]ethoxycarbonylamino]phenyl]carbamate

C24H42N4O4 — CID 139956615

IUPAC2-[methyl(pentyl)amino]ethyl N-[4-[2-[methyl(pentyl)amino]ethoxycarbonylamino]phenyl]carbamate
SMILESCCCCCN(C)CCOC(=O)Nc1ccc(NC(=O)OCCN(C)CCCCC)cc1
InChIInChI=1S/C24H42N4O4/c1-5-7-9-15-27(3)17-19-31-23(29)25-21-11-13-22(14-12-21)26-24(30)32-20-18-28(4)16-10-8-6-2/h11-14H,5-10,15-20H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyKAMZJWCXJCPOSA-UHFFFAOYSA-N
MW450.62 g/mol
LogP5.03
Rot. Bonds16

About 2-[methyl(pentyl)amino]ethyl N-[4-[2-[methyl(pentyl)amino]ethoxycarbonylamino]phenyl]carbamate

2-[methyl(pentyl)amino]ethyl N-[4-[2-[methyl(pentyl)amino]ethoxycarbonylamino]phenyl]carbamate (PubChem CID 139956615) has the molecular formula C24H42N4O4 and a molecular weight of 450.62 g/mol. Its IUPAC name is 2-[methyl(pentyl)amino]ethyl N-[4-[2-[methyl(pentyl)amino]ethoxycarbonylamino]phenyl]carbamate.

Molecular Properties

Compound Name2-[methyl(pentyl)amino]ethyl N-[4-[2-[methyl(pentyl)amino]ethoxycarbonylamino]phenyl]carbamate
PubChem CID139956615
Molecular FormulaC24H42N4O4
Molecular Weight450.62 g/mol
Exact Mass450.32
IUPAC Name2-[methyl(pentyl)amino]ethyl N-[4-[2-[methyl(pentyl)amino]ethoxycarbonylamino]phenyl]carbamate
SMILESCCCCCN(C)CCOC(=O)Nc1ccc(NC(=O)OCCN(C)CCCCC)cc1
InChIInChI=1S/C24H42N4O4/c1-5-7-9-15-27(3)17-19-31-23(29)25-21-11-13-22(14-12-21)26-24(30)32-20-18-28(4)16-10-8-6-2/h11-14H,5-10,15-20H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyKAMZJWCXJCPOSA-UHFFFAOYSA-N
XLogP5.03
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.62
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[decyl(methyl)amino]ethyl N-[4-[2-[decyl(methyl)amino]ethoxycarbonylamino]phenyl]carbamate
CID 139952468
2-[methyl(tetradecyl)amino]ethyl N-[4-[2-[methyl(tetradecyl)amino]ethoxycarbonylamino]phenyl]carbamate
CID 139952492
[methyl(tetradecyl)amino]methyl N-[4-[[methyl(tetradecyl)amino]methoxycarbonylamino]phenyl]carbamate
CID 139953453
[methyl(nonyl)amino]methyl N-[4-[[methyl(nonyl)amino]methoxycarbonylamino]phenyl]carbamate
CID 139953248
4-[methyl(octyl)amino]butyl N-[3-[4-[methyl(octyl)amino]butoxycarbonylamino]phenyl]carbamate
CID 139953083
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
4-[dodecyl(ethyl)amino]butyl N-[4-[4-[dodecyl(ethyl)amino]butoxycarbonylamino]phenyl]carbamate
CID 139953680
butyl N-[4-[4-(butoxycarbonylamino)phenyl]phenyl]carbamate
CID 70896336
[methyl(pentyl)amino]methyl N-[3-[[methyl(pentyl)amino]methoxycarbonylamino]phenyl]carbamate
CID 139956557
dodecyl N-(4-hydroxyphenyl)carbamate
CID 139715223
decyl N-(4-hydroxyphenyl)carbamate
CID 139715215
[ethyl(hexyl)amino]methyl N-[4-[[ethyl(hexyl)amino]methoxycarbonylamino]phenyl]carbamate
CID 139952883

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pentyl)amino]ethyl N-[4-[2-[methyl(pentyl)amino]ethoxycarbonylamino]phenyl]carbamate?
The IUPAC name of 2-[methyl(pentyl)amino]ethyl N-[4-[2-[methyl(pentyl)amino]ethoxycarbonylamino]phenyl]carbamate (CID 139956615) is 2-[methyl(pentyl)amino]ethyl N-[4-[2-[methyl(pentyl)amino]ethoxycarbonylamino]phenyl]carbamate.
What is the SMILES notation for 2-[methyl(pentyl)amino]ethyl N-[4-[2-[methyl(pentyl)amino]ethoxycarbonylamino]phenyl]carbamate?
The canonical SMILES for 2-[methyl(pentyl)amino]ethyl N-[4-[2-[methyl(pentyl)amino]ethoxycarbonylamino]phenyl]carbamate is CCCCCN(C)CCOC(=O)Nc1ccc(NC(=O)OCCN(C)CCCCC)cc1.
What is the InChIKey of 2-[methyl(pentyl)amino]ethyl N-[4-[2-[methyl(pentyl)amino]ethoxycarbonylamino]phenyl]carbamate?
The InChIKey is KAMZJWCXJCPOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N4O4/c1-5-7-9-15-27(3)17-19-31-23(29)25-21-11-13-22(14-12-21)26-24(30)32-20-18-28(4)16-10-8-6-2/h11-14H,5-10,15-20H2,1-4H3,(H,25,29)(H,26,30).
What are the key properties of 2-[methyl(pentyl)amino]ethyl N-[4-[2-[methyl(pentyl)amino]ethoxycarbonylamino]phenyl]carbamate?
2-[methyl(pentyl)amino]ethyl N-[4-[2-[methyl(pentyl)amino]ethoxycarbonylamino]phenyl]carbamate has a molecular weight of 450.62 g/mol, XLogP of 5.03, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pentyl)amino]ethyl N-[4-[2-[methyl(pentyl)amino]ethoxycarbonylamino]phenyl]carbamate is sourced from PubChem (CID 139956615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).