carbamic acid;1-ethyl-4-(4-propylcyclohexyl)benzene

C18H29NO2 — CID 70401958

IUPACcarbamic acid;1-ethyl-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(CC)cc2)CC1.NC(=O)O
InChIInChI=1S/C17H26.CH3NO2/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16;2-1(3)4/h6-7,10-11,15,17H,3-5,8-9,12-13H2,1-2H3;2H2,(H,3,4)
InChIKeyDPJUKCPVLONXIU-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.95
Rot. Bonds4

About carbamic acid;1-ethyl-4-(4-propylcyclohexyl)benzene

carbamic acid;1-ethyl-4-(4-propylcyclohexyl)benzene (PubChem CID 70401958) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is carbamic acid;1-ethyl-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Namecarbamic acid;1-ethyl-4-(4-propylcyclohexyl)benzene
PubChem CID70401958
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Namecarbamic acid;1-ethyl-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(CC)cc2)CC1.NC(=O)O
InChIInChI=1S/C17H26.CH3NO2/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16;2-1(3)4/h6-7,10-11,15,17H,3-5,8-9,12-13H2,1-2H3;2H2,(H,3,4)
InChIKeyDPJUKCPVLONXIU-UHFFFAOYSA-N
XLogP4.95
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-4-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene
CID 141224926
2-[4-(4-ethylphenyl)cyclohexyl]acetic acid
CID 82295361
2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]acetic acid
CID 19026680
1,7-bis[4-(4-propylcyclohexyl)phenyl]heptan-4-one
CID 70444896
4-[[4-(4-propylcyclohexyl)phenyl]methyl]aniline
CID 22420603
1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-ethylbenzene
CID 139724448
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
(4-propylcyclohexyl)benzene
CID 155887669
3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoic acid
CID 4201535
1,13-bis[4-(4-propylcyclohexyl)phenyl]tridecan-7-one
CID 70445108
2-(4-ethylphenyl)-5-propylcyclohexane-1-carboxamide
CID 54547003
1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene
CID 20654382

Frequently Asked Questions

What is the IUPAC name of carbamic acid;1-ethyl-4-(4-propylcyclohexyl)benzene?
The IUPAC name of carbamic acid;1-ethyl-4-(4-propylcyclohexyl)benzene (CID 70401958) is carbamic acid;1-ethyl-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for carbamic acid;1-ethyl-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for carbamic acid;1-ethyl-4-(4-propylcyclohexyl)benzene is CCCC1CCC(c2ccc(CC)cc2)CC1.NC(=O)O.
What is the InChIKey of carbamic acid;1-ethyl-4-(4-propylcyclohexyl)benzene?
The InChIKey is DPJUKCPVLONXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26.CH3NO2/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16;2-1(3)4/h6-7,10-11,15,17H,3-5,8-9,12-13H2,1-2H3;2H2,(H,3,4).
What are the key properties of carbamic acid;1-ethyl-4-(4-propylcyclohexyl)benzene?
carbamic acid;1-ethyl-4-(4-propylcyclohexyl)benzene has a molecular weight of 291.44 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;1-ethyl-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 70401958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).