[4-[3-[3-hydroxypropyl(methyl)amino]-3-oxopropoxy]cyclohexyl]-methylcarbamic acid

C15H28N2O5 — CID 22280845

IUPAC[4-[3-[3-hydroxypropyl(methyl)amino]-3-oxopropoxy]cyclohexyl]-methylcarbamic acid
SMILESCN(CCCO)C(=O)CCOC1CCC(N(C)C(=O)O)CC1
InChIInChI=1S/C15H28N2O5/c1-16(9-3-10-18)14(19)8-11-22-13-6-4-12(5-7-13)17(2)15(20)21/h12-13,18H,3-11H2,1-2H3,(H,20,21)
InChIKeyMCICCCPNXQWKIR-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.15
Rot. Bonds8

About [4-[3-[3-hydroxypropyl(methyl)amino]-3-oxopropoxy]cyclohexyl]-methylcarbamic acid

[4-[3-[3-hydroxypropyl(methyl)amino]-3-oxopropoxy]cyclohexyl]-methylcarbamic acid (PubChem CID 22280845) has the molecular formula C15H28N2O5 and a molecular weight of 316.40 g/mol. Its IUPAC name is [4-[3-[3-hydroxypropyl(methyl)amino]-3-oxopropoxy]cyclohexyl]-methylcarbamic acid.

Molecular Properties

Compound Name[4-[3-[3-hydroxypropyl(methyl)amino]-3-oxopropoxy]cyclohexyl]-methylcarbamic acid
PubChem CID22280845
Molecular FormulaC15H28N2O5
Molecular Weight316.40 g/mol
Exact Mass316.20
IUPAC Name[4-[3-[3-hydroxypropyl(methyl)amino]-3-oxopropoxy]cyclohexyl]-methylcarbamic acid
SMILESCN(CCCO)C(=O)CCOC1CCC(N(C)C(=O)O)CC1
InChIInChI=1S/C15H28N2O5/c1-16(9-3-10-18)14(19)8-11-22-13-6-4-12(5-7-13)17(2)15(20)21/h12-13,18H,3-11H2,1-2H3,(H,20,21)
InChIKeyMCICCCPNXQWKIR-UHFFFAOYSA-N
XLogP1.15
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[5-(dimethylamino)pentoxy]cyclohexyl]-methylcarbamic acid
CID 22567642
[4-(3-bromopropoxy)cyclohexyl]-methylcarbamic acid
CID 22567793
methyl-[4-[4-[methyl(propyl)amino]butoxy]cyclohexyl]carbamic acid
CID 20760582
3-cyclohexyloxy-N-methyl-N-[(Z)-octadec-9-enyl]propanamide
CID 169179957
3-cyclohexyloxy-N-ethyl-N-methylpropanamide
CID 67009773
N-cyclopropyl-4-hydroxy-N-methylbutanamide
CID 79203211
5-hydroxy-N-(3-hydroxypropyl)-N-methylpentanamide
CID 139993140
N-(3-hydroxypropyl)-3-piperidin-4-yloxy-N-propan-2-ylpropanamide
CID 63877523
N-(3-hydroxypropyl)-N-methyldecanamide
CID 59366231
3-[4-(hydroxymethyl)cyclohexyl]oxy-N,N-dimethylpropanamide
CID 106825531
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(oxan-4-yloxy)propanamide
CID 61288394
2-[4-(dimethylamino)cyclohexyl]oxyethanol
CID 66563849

Frequently Asked Questions

What is the IUPAC name of [4-[3-[3-hydroxypropyl(methyl)amino]-3-oxopropoxy]cyclohexyl]-methylcarbamic acid?
The IUPAC name of [4-[3-[3-hydroxypropyl(methyl)amino]-3-oxopropoxy]cyclohexyl]-methylcarbamic acid (CID 22280845) is [4-[3-[3-hydroxypropyl(methyl)amino]-3-oxopropoxy]cyclohexyl]-methylcarbamic acid.
What is the SMILES notation for [4-[3-[3-hydroxypropyl(methyl)amino]-3-oxopropoxy]cyclohexyl]-methylcarbamic acid?
The canonical SMILES for [4-[3-[3-hydroxypropyl(methyl)amino]-3-oxopropoxy]cyclohexyl]-methylcarbamic acid is CN(CCCO)C(=O)CCOC1CCC(N(C)C(=O)O)CC1.
What is the InChIKey of [4-[3-[3-hydroxypropyl(methyl)amino]-3-oxopropoxy]cyclohexyl]-methylcarbamic acid?
The InChIKey is MCICCCPNXQWKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O5/c1-16(9-3-10-18)14(19)8-11-22-13-6-4-12(5-7-13)17(2)15(20)21/h12-13,18H,3-11H2,1-2H3,(H,20,21).
What are the key properties of [4-[3-[3-hydroxypropyl(methyl)amino]-3-oxopropoxy]cyclohexyl]-methylcarbamic acid?
[4-[3-[3-hydroxypropyl(methyl)amino]-3-oxopropoxy]cyclohexyl]-methylcarbamic acid has a molecular weight of 316.40 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[3-hydroxypropyl(methyl)amino]-3-oxopropoxy]cyclohexyl]-methylcarbamic acid is sourced from PubChem (CID 22280845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).