(1S,4S)-N-[(2R)-2-[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl)amino]propyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

C25H38N2O2 — CID 53263046

IUPAC(1S,4S)-N-[(2R)-2-[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl)amino]propyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C2(C(=O)N[C@H](C)CNC(=O)[C@@]34CC[C@@H](C3)C(C)(C)C4=C)CCC(C2)C1(C)C
InChIInChI=1S/C25H38N2O2/c1-15(27-21(29)25-11-9-19(13-25)23(6,7)17(25)3)14-26-20(28)24-10-8-18(12-24)22(4,5)16(24)2/h15,18-19H,2-3,8-14H2,1,4-7H3,(H,26,28)(H,27,29)/t15-,18+,19?,24+,25?/m1/s1
InChIKeyCROQMTIRWFBSQR-VBLIARBZSA-N
MW398.59 g/mol
LogP4.37
Rot. Bonds5

About (1S,4S)-N-[(2R)-2-[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl)amino]propyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

(1S,4S)-N-[(2R)-2-[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl)amino]propyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 53263046) has the molecular formula C25H38N2O2 and a molecular weight of 398.59 g/mol. Its IUPAC name is (1S,4S)-N-[(2R)-2-[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl)amino]propyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(1S,4S)-N-[(2R)-2-[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl)amino]propyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
PubChem CID53263046
Molecular FormulaC25H38N2O2
Molecular Weight398.59 g/mol
Exact Mass398.29
IUPAC Name(1S,4S)-N-[(2R)-2-[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl)amino]propyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C2(C(=O)N[C@H](C)CNC(=O)[C@@]34CC[C@@H](C3)C(C)(C)C4=C)CCC(C2)C1(C)C
InChIInChI=1S/C25H38N2O2/c1-15(27-21(29)25-11-9-19(13-25)23(6,7)17(25)3)14-26-20(28)24-10-8-18(12-24)22(4,5)16(24)2/h15,18-19H,2-3,8-14H2,1,4-7H3,(H,26,28)(H,27,29)/t15-,18+,19?,24+,25?/m1/s1
InChIKeyCROQMTIRWFBSQR-VBLIARBZSA-N
XLogP4.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.59
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-N-[(2R)-2-[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl)amino]propyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (1S,4S)-N-[(2R)-2-[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl)amino]propyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (CID 53263046) is (1S,4S)-N-[(2R)-2-[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl)amino]propyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (1S,4S)-N-[(2R)-2-[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl)amino]propyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (1S,4S)-N-[(2R)-2-[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl)amino]propyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is C=C1C2(C(=O)N[C@H](C)CNC(=O)[C@@]34CC[C@@H](C3)C(C)(C)C4=C)CCC(C2)C1(C)C.
What is the InChIKey of (1S,4S)-N-[(2R)-2-[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl)amino]propyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is CROQMTIRWFBSQR-VBLIARBZSA-N. The full InChI is InChI=1S/C25H38N2O2/c1-15(27-21(29)25-11-9-19(13-25)23(6,7)17(25)3)14-26-20(28)24-10-8-18(12-24)22(4,5)16(24)2/h15,18-19H,2-3,8-14H2,1,4-7H3,(H,26,28)(H,27,29)/t15-,18+,19?,24+,25?/m1/s1.
What are the key properties of (1S,4S)-N-[(2R)-2-[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl)amino]propyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
(1S,4S)-N-[(2R)-2-[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl)amino]propyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 398.59 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-N-[(2R)-2-[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl)amino]propyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 53263046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).