N-[(5R)-5-[bis[2-(diethylamino)ethyl]amino]hexyl]-4-(2,5-dioxopyrrol-1-yl)butanamide

C26H49N5O3 — CID 58654612

IUPACN-[(5R)-5-[bis[2-(diethylamino)ethyl]amino]hexyl]-4-(2,5-dioxopyrrol-1-yl)butanamide
SMILESCCN(CC)CCN(CCN(CC)CC)[C@H](C)CCCCNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C26H49N5O3/c1-6-28(7-2)19-21-30(22-20-29(8-3)9-4)23(5)13-10-11-17-27-24(32)14-12-18-31-25(33)15-16-26(31)34/h15-16,23H,6-14,17-22H2,1-5H3,(H,27,32)/t23-/m1/s1
InChIKeyIQWSKFRKZFLKLT-HSZRJFAPSA-N
MW479.71 g/mol
LogP2.35
Rot. Bonds20

About N-[(5R)-5-[bis[2-(diethylamino)ethyl]amino]hexyl]-4-(2,5-dioxopyrrol-1-yl)butanamide

N-[(5R)-5-[bis[2-(diethylamino)ethyl]amino]hexyl]-4-(2,5-dioxopyrrol-1-yl)butanamide (PubChem CID 58654612) has the molecular formula C26H49N5O3 and a molecular weight of 479.71 g/mol. Its IUPAC name is N-[(5R)-5-[bis[2-(diethylamino)ethyl]amino]hexyl]-4-(2,5-dioxopyrrol-1-yl)butanamide.

Molecular Properties

Compound NameN-[(5R)-5-[bis[2-(diethylamino)ethyl]amino]hexyl]-4-(2,5-dioxopyrrol-1-yl)butanamide
PubChem CID58654612
Molecular FormulaC26H49N5O3
Molecular Weight479.71 g/mol
Exact Mass479.38
IUPAC NameN-[(5R)-5-[bis[2-(diethylamino)ethyl]amino]hexyl]-4-(2,5-dioxopyrrol-1-yl)butanamide
SMILESCCN(CC)CCN(CCN(CC)CC)[C@H](C)CCCCNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C26H49N5O3/c1-6-28(7-2)19-21-30(22-20-29(8-3)9-4)23(5)13-10-11-17-27-24(32)14-12-18-31-25(33)15-16-26(31)34/h15-16,23H,6-14,17-22H2,1-5H3,(H,27,32)/t23-/m1/s1
InChIKeyIQWSKFRKZFLKLT-HSZRJFAPSA-N
XLogP2.35
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.71
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(2,5-dioxopyrrol-1-yl)-N-(5-methylheptyl)hexanamide
CID 145076872
4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide
CID 90175962
4-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)butanamide
CID 121327484
6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide
CID 18724284
2-amino-6-(2,5-dioxopyrrol-1-yl)-N-[5-(hexylamino)-5-oxopentyl]hexanamide;ethane
CID 142928631
6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-methylhexanamide
CID 20719178
(2S)-2,6-bis[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoic acid
CID 149461686
5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane
CID 145076729
acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide
CID 91395797
6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-propylhexanamide
CID 70965533
3-(2,5-dioxopyrrol-1-yl)-N-[5-(ethylamino)-6-oxoheptyl]propanamide
CID 21299485
3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-(methylamino)-6-oxoheptyl]propanamide
CID 58587501

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-5-[bis[2-(diethylamino)ethyl]amino]hexyl]-4-(2,5-dioxopyrrol-1-yl)butanamide?
The IUPAC name of N-[(5R)-5-[bis[2-(diethylamino)ethyl]amino]hexyl]-4-(2,5-dioxopyrrol-1-yl)butanamide (CID 58654612) is N-[(5R)-5-[bis[2-(diethylamino)ethyl]amino]hexyl]-4-(2,5-dioxopyrrol-1-yl)butanamide.
What is the SMILES notation for N-[(5R)-5-[bis[2-(diethylamino)ethyl]amino]hexyl]-4-(2,5-dioxopyrrol-1-yl)butanamide?
The canonical SMILES for N-[(5R)-5-[bis[2-(diethylamino)ethyl]amino]hexyl]-4-(2,5-dioxopyrrol-1-yl)butanamide is CCN(CC)CCN(CCN(CC)CC)[C@H](C)CCCCNC(=O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of N-[(5R)-5-[bis[2-(diethylamino)ethyl]amino]hexyl]-4-(2,5-dioxopyrrol-1-yl)butanamide?
The InChIKey is IQWSKFRKZFLKLT-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H49N5O3/c1-6-28(7-2)19-21-30(22-20-29(8-3)9-4)23(5)13-10-11-17-27-24(32)14-12-18-31-25(33)15-16-26(31)34/h15-16,23H,6-14,17-22H2,1-5H3,(H,27,32)/t23-/m1/s1.
What are the key properties of N-[(5R)-5-[bis[2-(diethylamino)ethyl]amino]hexyl]-4-(2,5-dioxopyrrol-1-yl)butanamide?
N-[(5R)-5-[bis[2-(diethylamino)ethyl]amino]hexyl]-4-(2,5-dioxopyrrol-1-yl)butanamide has a molecular weight of 479.71 g/mol, XLogP of 2.35, 20 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-5-[bis[2-(diethylamino)ethyl]amino]hexyl]-4-(2,5-dioxopyrrol-1-yl)butanamide is sourced from PubChem (CID 58654612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).