N-[(1R,2R,6S)-6-(naphthalen-1-ylmethylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide

C24H32N2O2 — CID 175804583

IUPACN-[(1R,2R,6S)-6-(naphthalen-1-ylmethylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
SMILESCCC(CC)O[C@@H]1C=CC[C@H](NCc2cccc3ccccc23)[C@H]1NC(C)=O
InChIInChI=1S/C24H32N2O2/c1-4-20(5-2)28-23-15-9-14-22(24(23)26-17(3)27)25-16-19-12-8-11-18-10-6-7-13-21(18)19/h6-13,15,20,22-25H,4-5,14,16H2,1-3H3,(H,26,27)/t22-,23+,24+/m0/s1
InChIKeyTXDPAUTZLQRIRS-RBZQAINGSA-N
MW380.53 g/mol
LogP4.34
Rot. Bonds8

About N-[(1R,2R,6S)-6-(naphthalen-1-ylmethylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide

N-[(1R,2R,6S)-6-(naphthalen-1-ylmethylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide (PubChem CID 175804583) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-[(1R,2R,6S)-6-(naphthalen-1-ylmethylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R,6S)-6-(naphthalen-1-ylmethylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
PubChem CID175804583
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-[(1R,2R,6S)-6-(naphthalen-1-ylmethylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
SMILESCCC(CC)O[C@@H]1C=CC[C@H](NCc2cccc3ccccc23)[C@H]1NC(C)=O
InChIInChI=1S/C24H32N2O2/c1-4-20(5-2)28-23-15-9-14-22(24(23)26-17(3)27)25-16-19-12-8-11-18-10-6-7-13-21(18)19/h6-13,15,20,22-25H,4-5,14,16H2,1-3H3,(H,26,27)/t22-,23+,24+/m0/s1
InChIKeyTXDPAUTZLQRIRS-RBZQAINGSA-N
XLogP4.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R,5S)-4-acetamido-N-[(4-chlorophenyl)methyl]-3-pentan-3-yloxy-5-[(4-phenylphenyl)methylamino]cyclohexene-1-carboxamide
CID 155568383
N-[6-(diaminomethylamino)-4-(dihydroxymethyl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
CID 123674154
N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 26315441
2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide
CID 62368637
2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide;hydrochloride
CID 119709573
3-ethoxy-2,2-dimethyl-N-(naphthalen-1-ylmethyl)cyclobutan-1-amine
CID 64852908
N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036
ethyl N-[6-(naphthalen-1-ylmethylamino)-2-(propan-2-ylamino)piperidin-3-yl]carbamate
CID 110179244
2-(ethylamino)-N-(naphthalen-1-ylmethyl)acetamide
CID 55068383
[(3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexen-1-yl]-[3-(1H-indol-3-yl)propoxy]phosphinic acid
CID 90643659
(3R,4R,5S)-4-acetamido-5-[(2-methylpropylamino)carbamoylamino]-3-pentan-3-yloxycyclohexene-1-carboxylic acid
CID 164616658
N-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide
CID 133218992

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,6S)-6-(naphthalen-1-ylmethylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
The IUPAC name of N-[(1R,2R,6S)-6-(naphthalen-1-ylmethylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide (CID 175804583) is N-[(1R,2R,6S)-6-(naphthalen-1-ylmethylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2R,6S)-6-(naphthalen-1-ylmethylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
The canonical SMILES for N-[(1R,2R,6S)-6-(naphthalen-1-ylmethylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide is CCC(CC)O[C@@H]1C=CC[C@H](NCc2cccc3ccccc23)[C@H]1NC(C)=O.
What is the InChIKey of N-[(1R,2R,6S)-6-(naphthalen-1-ylmethylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
The InChIKey is TXDPAUTZLQRIRS-RBZQAINGSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-4-20(5-2)28-23-15-9-14-22(24(23)26-17(3)27)25-16-19-12-8-11-18-10-6-7-13-21(18)19/h6-13,15,20,22-25H,4-5,14,16H2,1-3H3,(H,26,27)/t22-,23+,24+/m0/s1.
What are the key properties of N-[(1R,2R,6S)-6-(naphthalen-1-ylmethylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
N-[(1R,2R,6S)-6-(naphthalen-1-ylmethylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide has a molecular weight of 380.53 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,6S)-6-(naphthalen-1-ylmethylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide is sourced from PubChem (CID 175804583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).