3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide

C18H26N2O3 — CID 119712726

IUPAC3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2ccc(OCC3CCCO3)cc2)C1
InChIInChI=1S/C18H26N2O3/c19-14-4-1-3-13(11-14)18(21)20-15-6-8-16(9-7-15)23-12-17-5-2-10-22-17/h6-9,13-14,17H,1-5,10-12,19H2,(H,20,21)
InChIKeyYHZLBGQIYPUNOW-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.70
Rot. Bonds5

About 3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide

3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide (PubChem CID 119712726) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide
PubChem CID119712726
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2ccc(OCC3CCCO3)cc2)C1
InChIInChI=1S/C18H26N2O3/c19-14-4-1-3-13(11-14)18(21)20-15-6-8-16(9-7-15)23-12-17-5-2-10-22-17/h6-9,13-14,17H,1-5,10-12,19H2,(H,20,21)
InChIKeyYHZLBGQIYPUNOW-UHFFFAOYSA-N
XLogP2.70
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide
CID 47251152
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
3-amino-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
CID 63045073
N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]cyclopropanecarboxamide
CID 4958027
3-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide
CID 119743204
3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119698618
3-amino-N-[4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119723414
(2S,5R)-5-(aminomethyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]oxolane-2-carboxamide
CID 120786454
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
2-(cyclopropylmethylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119712735
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119283533

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide (CID 119712726) is 3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)Nc2ccc(OCC3CCCO3)cc2)C1.
What is the InChIKey of 3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide?
The InChIKey is YHZLBGQIYPUNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c19-14-4-1-3-13(11-14)18(21)20-15-6-8-16(9-7-15)23-12-17-5-2-10-22-17/h6-9,13-14,17H,1-5,10-12,19H2,(H,20,21).
What are the key properties of 3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide?
3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119712726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).