N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2-[acetyl(2-phenylethyl)amino]acetamide

C22H24N2O2 — CID 97103340

IUPACN-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2-[acetyl(2-phenylethyl)amino]acetamide
SMILESCC(=O)N(CCc1ccccc1)CC(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21
InChIInChI=1S/C22H24N2O2/c1-15(25)24(12-11-16-7-3-2-4-8-16)14-20(26)23-22-19-13-17-9-5-6-10-18(17)21(19)22/h2-10,19,21-22H,11-14H2,1H3,(H,23,26)/t19-,21+,22-/m1/s1
InChIKeyZZWRITWREIDHRD-BAGYTPMASA-N
MW348.45 g/mol
LogP2.53
Rot. Bonds6

About N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2-[acetyl(2-phenylethyl)amino]acetamide

N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2-[acetyl(2-phenylethyl)amino]acetamide (PubChem CID 97103340) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2-[acetyl(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2-[acetyl(2-phenylethyl)amino]acetamide
PubChem CID97103340
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2-[acetyl(2-phenylethyl)amino]acetamide
SMILESCC(=O)N(CCc1ccccc1)CC(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21
InChIInChI=1S/C22H24N2O2/c1-15(25)24(12-11-16-7-3-2-4-8-16)14-20(26)23-22-19-13-17-9-5-6-10-18(17)21(19)22/h2-10,19,21-22H,11-14H2,1H3,(H,23,26)/t19-,21+,22-/m1/s1
InChIKeyZZWRITWREIDHRD-BAGYTPMASA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-(methylamino)acetamide
CID 119822552
2-[1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carbonyl(2-phenylethyl)amino]acetic acid
CID 146136997
4-[2-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]amino]-2-oxoethyl]benzoic acid
CID 129469957
4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid
CID 120524552
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4-(methylamino)butanamide;hydrochloride
CID 119822539
2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-2-cyclopropylacetic acid
CID 120521212
N-(4-acetamidophenyl)-2-[acetyl(2-phenylethyl)amino]acetamide
CID 113164087
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119822559
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-7-aminoheptanamide;hydrochloride
CID 119822531
2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]butanoic acid
CID 120523315
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-(2-nitrophenyl)acetamide
CID 122137963
1-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 120530042

Frequently Asked Questions

What is the IUPAC name of N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2-[acetyl(2-phenylethyl)amino]acetamide?
The IUPAC name of N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2-[acetyl(2-phenylethyl)amino]acetamide (CID 97103340) is N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2-[acetyl(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2-[acetyl(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2-[acetyl(2-phenylethyl)amino]acetamide is CC(=O)N(CCc1ccccc1)CC(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21.
What is the InChIKey of N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2-[acetyl(2-phenylethyl)amino]acetamide?
The InChIKey is ZZWRITWREIDHRD-BAGYTPMASA-N. The full InChI is InChI=1S/C22H24N2O2/c1-15(25)24(12-11-16-7-3-2-4-8-16)14-20(26)23-22-19-13-17-9-5-6-10-18(17)21(19)22/h2-10,19,21-22H,11-14H2,1H3,(H,23,26)/t19-,21+,22-/m1/s1.
What are the key properties of N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2-[acetyl(2-phenylethyl)amino]acetamide?
N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2-[acetyl(2-phenylethyl)amino]acetamide has a molecular weight of 348.45 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2-[acetyl(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 97103340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).