4-amino-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide

C12H24N2O3 — CID 106310576

IUPAC4-amino-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)NCCCOCCO)CC1
InChIInChI=1S/C12H24N2O3/c13-11-4-2-10(3-5-11)12(16)14-6-1-8-17-9-7-15/h10-11,15H,1-9,13H2,(H,14,16)
InChIKeyPOVWXEPPZHDNLJ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.02
Rot. Bonds7

About 4-amino-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide

4-amino-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide (PubChem CID 106310576) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-amino-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide
PubChem CID106310576
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name4-amino-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)NCCCOCCO)CC1
InChIInChI=1S/C12H24N2O3/c13-11-4-2-10(3-5-11)12(16)14-6-1-8-17-9-7-15/h10-11,15H,1-9,13H2,(H,14,16)
InChIKeyPOVWXEPPZHDNLJ-UHFFFAOYSA-N
XLogP0.02
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide
CID 106310523
4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide
CID 103795970
4-amino-N-(5-amino-5-oxopentyl)cyclohexane-1-carboxamide
CID 106235907
4-amino-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide
CID 114137006
2-amino-N-[3-(2-hydroxyethoxy)propyl]cycloheptane-1-carboxamide
CID 106310524
4-amino-N-pent-4-ynylcyclohexane-1-carboxamide
CID 106221983
N-[3-(2-bromoethoxy)propyl]cycloheptanecarboxamide
CID 106307600
N-[3-(2-hydroxyethoxy)propyl]piperidine-3-carboxamide
CID 106310691
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide
CID 81433162
4-amino-N-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxamide
CID 113264018
4-amino-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 104761102

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide (CID 106310576) is 4-amino-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide is NC1CCC(C(=O)NCCCOCCO)CC1.
What is the InChIKey of 4-amino-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide?
The InChIKey is POVWXEPPZHDNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c13-11-4-2-10(3-5-11)12(16)14-6-1-8-17-9-7-15/h10-11,15H,1-9,13H2,(H,14,16).
What are the key properties of 4-amino-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide?
4-amino-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide has a molecular weight of 244.33 g/mol, XLogP of 0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 106310576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).