4-(aminomethyl)-N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methylbenzamide

C17H26N2O2 — CID 124685693

IUPAC4-(aminomethyl)-N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methylbenzamide
SMILESCO[C@@]1(C)C[C@@H](N(C)C(=O)c2ccc(CN)cc2)C1(C)C
InChIInChI=1S/C17H26N2O2/c1-16(2)14(10-17(16,3)21-5)19(4)15(20)13-8-6-12(11-18)7-9-13/h6-9,14H,10-11,18H2,1-5H3/t14-,17+/m1/s1
InChIKeyFLMVCDFWKCQKBC-PBHICJAKSA-N
MW290.41 g/mol
LogP2.42
Rot. Bonds4

About 4-(aminomethyl)-N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methylbenzamide

4-(aminomethyl)-N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methylbenzamide (PubChem CID 124685693) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methylbenzamide
PubChem CID124685693
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-(aminomethyl)-N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methylbenzamide
SMILESCO[C@@]1(C)C[C@@H](N(C)C(=O)c2ccc(CN)cc2)C1(C)C
InChIInChI=1S/C17H26N2O2/c1-16(2)14(10-17(16,3)21-5)19(4)15(20)13-8-6-12(11-18)7-9-13/h6-9,14H,10-11,18H2,1-5H3/t14-,17+/m1/s1
InChIKeyFLMVCDFWKCQKBC-PBHICJAKSA-N
XLogP2.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methylbenzamide?
The IUPAC name of 4-(aminomethyl)-N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methylbenzamide (CID 124685693) is 4-(aminomethyl)-N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methylbenzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methylbenzamide?
The canonical SMILES for 4-(aminomethyl)-N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methylbenzamide is CO[C@@]1(C)C[C@@H](N(C)C(=O)c2ccc(CN)cc2)C1(C)C.
What is the InChIKey of 4-(aminomethyl)-N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methylbenzamide?
The InChIKey is FLMVCDFWKCQKBC-PBHICJAKSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-16(2)14(10-17(16,3)21-5)19(4)15(20)13-8-6-12(11-18)7-9-13/h6-9,14H,10-11,18H2,1-5H3/t14-,17+/m1/s1.
What are the key properties of 4-(aminomethyl)-N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methylbenzamide?
4-(aminomethyl)-N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methylbenzamide has a molecular weight of 290.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methylbenzamide is sourced from PubChem (CID 124685693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).